4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide

C10H14ClN3O — CID 891856

IUPAC4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyAEWMHZKRUKXXFH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.75
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide

4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide (PubChem CID 891856) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
PubChem CID891856
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyAEWMHZKRUKXXFH-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2-cyclopentyl-2-phenylethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 110245188
4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
CID 154848802
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768527
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
1-methyl-3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate
CID 28847813
3-chloro-N-cyclohexyl-6-(methylamino)pyridine-2-carboxamide
CID 62173028
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
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N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide (CID 891856) is 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)NC2CCCC2)n1.
What is the InChIKey of 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide?
The InChIKey is AEWMHZKRUKXXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide?
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.75, 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-methylpyrazole-3-carboxamide is sourced from PubChem (CID 891856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).