4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide

C16H25ClN4O — CID 77095105

IUPAC4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C16H25ClN4O/c1-20-14(13(17)11-18-20)15(22)19-16(7-3-2-4-8-16)12-21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,19,22)
InChIKeyKIOYCCOGQCXMIV-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 77095105) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID77095105
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C16H25ClN4O/c1-20-14(13(17)11-18-20)15(22)19-16(7-3-2-4-8-16)12-21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,19,22)
InChIKeyKIOYCCOGQCXMIV-UHFFFAOYSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 99935183
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide
CID 77081515
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(E)-3-(1-methylpyrazol-4-yl)-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]prop-2-enamide
CID 56756100
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
N-[(4-carbamoylcyclohexyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 138036126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide (CID 77095105) is 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC1(CN2CCCC2)CCCCC1.
What is the InChIKey of 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is KIOYCCOGQCXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-20-14(13(17)11-18-20)15(22)19-16(7-3-2-4-8-16)12-21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,19,22).
What are the key properties of 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 324.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 77095105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).