5-{2-[(4-methoxyphenyl)methoxy]ethyl}-1H-pyrazol-3-amine

5-{2-[(4-methoxyphenyl)methoxy]ethyl}-1H-pyrazol-3-amine

CAS: 1425931-97-0

Formula: C13H17N3O2

SMILES: COC1=CC=C(COCCC2=CC(N)=NN2)C=C1

IUPAC: 5-{2-[(4-methoxyphenyl)methoxy]ethyl}-1H-pyrazol-3-amine

InChI: InChI=1S/C13H17N3O2/c1-17-12-4-2-10(3-5-12)9-18-7-6-11-8-13(14)16-15-11/h2-5,8H,6-7,9H2,1H3,(H3,14,15,16)

Composition: C (63.14%), H (6.93%), N (16.99%), O (12.94%)

Molar Mass: 247.298

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.132076799
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VDDMVJNKNFHXIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.15
Topological Polar Surface Area	73.16
Polarizability	26.51
Ring Count	2
Rotatable Bond Count	6

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