4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide

C11H16ClN3O — CID 832003

IUPAC4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC2CCCC2)nn1C
InChIInChI=1S/C11H16ClN3O/c1-7-9(12)10(14-15(7)2)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyUSTPVKORFUWDSF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 832003) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID832003
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC2CCCC2)nn1C
InChIInChI=1S/C11H16ClN3O/c1-7-9(12)10(14-15(7)2)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16)
InChIKeyUSTPVKORFUWDSF-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 23359470
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarboxamide
CID 831788
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbohydrazide
CID 593923
1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
WO2021250648, Example 35
CID 162396402
WO2021250648, Example 73
CID 162396438
4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide (CID 832003) is 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NC2CCCC2)nn1C.
What is the InChIKey of 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is USTPVKORFUWDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-9(12)10(14-15(7)2)11(16)13-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 832003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).