2-methylpropyl N-(1H-pyrazol-5-yl)carbamate

C8H13N3O2 — CID 61394403

IUPAC2-methylpropyl N-(1H-pyrazol-5-yl)carbamate
SMILESCC(C)COC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyYLVIXWREAMRFHR-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.61
Rot. Bonds3

About 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate

2-methylpropyl N-(1H-pyrazol-5-yl)carbamate (PubChem CID 61394403) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1H-pyrazol-5-yl)carbamate
PubChem CID61394403
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methylpropyl N-(1H-pyrazol-5-yl)carbamate
SMILESCC(C)COC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyYLVIXWREAMRFHR-UHFFFAOYSA-N
XLogP1.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate
CID 2807822
tert-butyl N-(5-amino-1H-pyrazol-3-yl)carbamate
CID 45091900
tert-Butyl 1H-pyrazol-3-ylcarbamate
CID 57937381
N-(2H-Pyrazol-3-YL)formamide
CID 328397
Carboxyaminopyrazole
CID 17974160
tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
CID 141369905
trifluoromethyl N-(1H-pyrazol-5-yl)carbamate
CID 143865280
difluoromethyl N-(1H-pyrazol-5-yl)carbamate
CID 170943610
2,2,2-trifluoroethyl N-(1H-pyrazol-5-yl)carbamate
CID 47400938
2,2,2-trifluoroethyl N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]carbamate
CID 53544747
2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104621854
tert-Butyl (1-methyl-1H-pyrazol-3-yl)carbamate
CID 14488346

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate (CID 61394403) is 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate is CC(C)COC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is YLVIXWREAMRFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)10-7-3-4-9-11-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate?
2-methylpropyl N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 61394403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).