3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide

C12H20N4O — CID 102780018

IUPAC3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)C2NCCC2C)n[nH]1
InChIInChI=1S/C12H20N4O/c1-3-4-9-7-10(16-15-9)14-12(17)11-8(2)5-6-13-11/h7-8,11,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyTXXRTAZJXRTSAN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds4

About 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide

3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 102780018) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID102780018
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)C2NCCC2C)n[nH]1
InChIInChI=1S/C12H20N4O/c1-3-4-9-7-10(16-15-9)14-12(17)11-8(2)5-6-13-11/h7-8,11,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyTXXRTAZJXRTSAN-UHFFFAOYSA-N
XLogP1.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(5-propyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 107068555
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CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378
N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 104618156
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
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N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550
N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 104618202
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 115745995

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide (CID 102780018) is 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide is CCCc1cc(NC(=O)C2NCCC2C)n[nH]1.
What is the InChIKey of 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is TXXRTAZJXRTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-9-7-10(16-15-9)14-12(17)11-8(2)5-6-13-11/h7-8,11,13H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102780018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).