5-methyl-1H-pyrazol-3-ylboronic acid

5-methyl-1H-pyrazol-3-ylboronic acid

CAS: 1163248-54-1

Formula: C4H7BN2O2

SMILES: CC1=CC(=NN1)B(O)O

IUPAC: (5-methyl-1H-pyrazol-3-yl)boronic acid

InChI: InChI=1S/C4H7BN2O2/c1-3-2-4(5(8)9)7-6-3/h2,8-9H,1H3,(H,6,7)

Composition: C (38.15%), H (5.60%), B (8.58%), N (22.25%), O (25.41%)

Molar Mass: 125.92

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	126.060057
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	VWENLWUOIPCRRJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.75
Topological Polar Surface Area	69.14
Polarizability	12.16
Ring Count	1
Rotatable Bond Count	1

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