2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C9H14N4O — CID 20784753

IUPAC2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC1CCCN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O/c1-7-3-2-4-13(7)9(14)12-8-5-10-11-6-8/h5-7H,2-4H2,1H3,(H,10,11)(H,12,14)
InChIKeyAHEPGYBQRDSTJK-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.43
Rot. Bonds1

About 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 20784753) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID20784753
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC1CCCN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O/c1-7-3-2-4-13(7)9(14)12-8-5-10-11-6-8/h5-7H,2-4H2,1H3,(H,10,11)(H,12,14)
InChIKeyAHEPGYBQRDSTJK-UHFFFAOYSA-N
XLogP1.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71859104
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 20784753) is 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is CC1CCCN1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is AHEPGYBQRDSTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-3-2-4-13(7)9(14)12-8-5-10-11-6-8/h5-7H,2-4H2,1H3,(H,10,11)(H,12,14).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20784753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).