1H-pyrazol-5-yl N-methylcarbamate

C5H7N3O2 — CID 154289167

IUPAC1H-pyrazol-5-yl N-methylcarbamate
SMILESCNC(=O)Oc1ccn[nH]1
InChIInChI=1S/C5H7N3O2/c1-6-5(9)10-4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyPRNCXSCGSSMXEH-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.13
Rot. Bonds1

About 1H-pyrazol-5-yl N-methylcarbamate

1H-pyrazol-5-yl N-methylcarbamate (PubChem CID 154289167) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1H-pyrazol-5-yl N-methylcarbamate.

Molecular Properties

Compound Name1H-pyrazol-5-yl N-methylcarbamate
PubChem CID154289167
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1H-pyrazol-5-yl N-methylcarbamate
SMILESCNC(=O)Oc1ccn[nH]1
InChIInChI=1S/C5H7N3O2/c1-6-5(9)10-4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyPRNCXSCGSSMXEH-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174155754
CID 174155754
hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium
CID 174865982
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898
1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
CID 164529326
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
oxo(1H-pyrazol-5-yloxy)borane
CID 90694774
(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate
CID 142785609
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine
CID 126655425
1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate
CID 68807448
3-(1H-pyrazol-5-yloxy)pyridine-2-carboxamide
CID 54542037

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl N-methylcarbamate?
The IUPAC name of 1H-pyrazol-5-yl N-methylcarbamate (CID 154289167) is 1H-pyrazol-5-yl N-methylcarbamate.
What is the SMILES notation for 1H-pyrazol-5-yl N-methylcarbamate?
The canonical SMILES for 1H-pyrazol-5-yl N-methylcarbamate is CNC(=O)Oc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl N-methylcarbamate?
The InChIKey is PRNCXSCGSSMXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-5(9)10-4-2-3-7-8-4/h2-3H,1H3,(H,6,9)(H,7,8).
What are the key properties of 1H-pyrazol-5-yl N-methylcarbamate?
1H-pyrazol-5-yl N-methylcarbamate has a molecular weight of 141.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl N-methylcarbamate is sourced from PubChem (CID 154289167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).