N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

C8H12N4O — CID 131036172

IUPACN-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCC2)n1
InChIInChI=1S/C8H12N4O/c1-11-6-3-7(10-11)9-8(13)12-4-2-5-12/h3,6H,2,4-5H2,1H3,(H,9,10,13)
InChIKeyARMPVEKHEKFZKA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.66
Rot. Bonds1

About N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (PubChem CID 131036172) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
PubChem CID131036172
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCC2)n1
InChIInChI=1S/C8H12N4O/c1-11-6-3-7(10-11)9-8(13)12-4-2-5-12/h3,6H,2,4-5H2,1H3,(H,9,10,13)
InChIKeyARMPVEKHEKFZKA-UHFFFAOYSA-N
XLogP0.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
4-[cyclobutyl(methylsulfonyl)amino]-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 128996295
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 146129104
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 60616938
N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 54921208
1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983729
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 75476054
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (CID 131036172) is N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is Cn1ccc(NC(=O)N2CCC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The InChIKey is ARMPVEKHEKFZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-6-3-7(10-11)9-8(13)12-4-2-5-12/h3,6H,2,4-5H2,1H3,(H,9,10,13).
What are the key properties of N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 131036172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).