tert-butyl N-(1H-pyrazol-3-ylmethyl)carbamate

tert-butyl N-(1H-pyrazol-3-ylmethyl)carbamate

CAS: 1251033-82-5

Formula: C9H15N3O2

SMILES: CC(C)(C)OC(=O)NCC1=NNC=C1

IUPAC: tert-butyl N-[(1H-pyrazol-3-yl)methyl]carbamate

InChI: InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)

Composition: C (54.81%), H (7.67%), N (21.30%), O (16.22%)

Molar Mass: 197.238

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.116426735
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	JXNFVHMWICVPPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	67.01
Polarizability	20.12
Ring Count	1
Rotatable Bond Count	4

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