1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide

C12H16N4O — CID 114251204

IUPAC1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCCn1ccc(NC(=O)C2(C#N)CCCC2)n1
InChIInChI=1S/C12H16N4O/c1-2-16-8-5-10(15-16)14-11(17)12(9-13)6-3-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17)
InChIKeyCKUGLRAWTWNHSX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.93
Rot. Bonds3

About 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide

1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 114251204) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID114251204
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCCn1ccc(NC(=O)C2(C#N)CCCC2)n1
InChIInChI=1S/C12H16N4O/c1-2-16-8-5-10(15-16)14-11(17)12(9-13)6-3-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17)
InChIKeyCKUGLRAWTWNHSX-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497
N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537630
2,2-diethyl-4-[(1-ethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 114250817
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
CID 114387937
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
6-[(1-ethylpyrazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620237
N-(1-ethylpyrazol-3-yl)-2-piperidin-4-ylacetamide
CID 66510151
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 114251204) is 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide is CCn1ccc(NC(=O)C2(C#N)CCCC2)n1.
What is the InChIKey of 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is CKUGLRAWTWNHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-16-8-5-10(15-16)14-11(17)12(9-13)6-3-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17).
What are the key properties of 1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.93, 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-ethylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114251204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).