1-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride

1-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride

CAS: 1185300-56-4

Formula: C11H15Cl2N3O

SMILES: Cl.Cl.COC1=CC=C(C=C1)C1=NNC=C1CN

IUPAC: 1-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride

InChI: InChI=1S/C11H13N3O.2ClH/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11;;/h2-5,7H,6,12H2,1H3,(H,13,14);2*1H

Composition: C (47.84%), H (5.48%), Cl (25.67%), N (15.22%), O (5.79%)

Molar Mass: 276.16

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.0592175
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UPQAPXKLNLBCEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.45
Topological Polar Surface Area	63.93
Polarizability	23.99
Ring Count	2
Rotatable Bond Count	3

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