1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

C12H16N4O — CID 82873497

IUPAC1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2(C#N)CCCC2)n1
InChIInChI=1S/C12H16N4O/c1-16-7-4-10(15-16)8-14-11(17)12(9-13)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyJWXAMWCVRONWQA-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.12
Rot. Bonds3

About 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 82873497) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID82873497
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2(C#N)CCCC2)n1
InChIInChI=1S/C12H16N4O/c1-16-7-4-10(15-16)8-14-11(17)12(9-13)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyJWXAMWCVRONWQA-UHFFFAOYSA-N
XLogP1.12
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 82873497) is 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1ccc(CNC(=O)C2(C#N)CCCC2)n1.
What is the InChIKey of 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is JWXAMWCVRONWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-7-4-10(15-16)8-14-11(17)12(9-13)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,14,17).
What are the key properties of 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82873497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).