5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide

C17H26N4O2 — CID 138004235

IUPAC5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NCCN2CCCC2=O)c1C1CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)11-21-16(13-5-6-13)14(10-19-21)17(23)18-7-9-20-8-3-4-15(20)22/h10,12-13H,3-9,11H2,1-2H3,(H,18,23)
InChIKeyXXSSZYDHBWKILM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds7

About 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 138004235) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID138004235
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NCCN2CCCC2=O)c1C1CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)11-21-16(13-5-6-13)14(10-19-21)17(23)18-7-9-20-8-3-4-15(20)22/h10,12-13H,3-9,11H2,1-2H3,(H,18,23)
InChIKeyXXSSZYDHBWKILM-UHFFFAOYSA-N
XLogP1.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 138035250
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545060
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 120522827
4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
CID 118788697
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534713
[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-(1,4-diazabicyclo[3.2.1]octan-4-yl)methanone
CID 138035787
2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109666
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690714
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide (CID 138004235) is 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)NCCN2CCCC2=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is XXSSZYDHBWKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)11-21-16(13-5-6-13)14(10-19-21)17(23)18-7-9-20-8-3-4-15(20)22/h10,12-13H,3-9,11H2,1-2H3,(H,18,23).
What are the key properties of 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138004235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).