methyl N-(1H-pyrazol-4-yl)carbamate

C5H7N3O2 — CID 43540508

IUPACmethyl N-(1H-pyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H7N3O2/c1-10-5(9)8-4-2-6-7-3-4/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyIXRFKKPDDOQWRF-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.59
Rot. Bonds1

About methyl N-(1H-pyrazol-4-yl)carbamate

methyl N-(1H-pyrazol-4-yl)carbamate (PubChem CID 43540508) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl N-(1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1H-pyrazol-4-yl)carbamate
PubChem CID43540508
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namemethyl N-(1H-pyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H7N3O2/c1-10-5(9)8-4-2-6-7-3-4/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyIXRFKKPDDOQWRF-UHFFFAOYSA-N
XLogP0.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1H-pyrazol-4-yl)carbamate?
The IUPAC name of methyl N-(1H-pyrazol-4-yl)carbamate (CID 43540508) is methyl N-(1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for methyl N-(1H-pyrazol-4-yl)carbamate?
The canonical SMILES for methyl N-(1H-pyrazol-4-yl)carbamate is COC(=O)Nc1cn[nH]c1.
What is the InChIKey of methyl N-(1H-pyrazol-4-yl)carbamate?
The InChIKey is IXRFKKPDDOQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-5(9)8-4-2-6-7-3-4/h2-3H,1H3,(H,6,7)(H,8,9).
What are the key properties of methyl N-(1H-pyrazol-4-yl)carbamate?
methyl N-(1H-pyrazol-4-yl)carbamate has a molecular weight of 141.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 43540508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).