N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide

C14H20N4O — CID 164634416

IUPACN-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)n1
InChIInChI=1S/C14H20N4O/c1-14(10-15,11-6-4-3-5-7-11)16-13(19)12-8-9-18(2)17-12/h8-9,11H,3-7H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyGZPYJWKCZGWZSY-CQSZACIVSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds3

About N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide

N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 164634416) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide
PubChem CID164634416
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)n1
InChIInChI=1S/C14H20N4O/c1-14(10-15,11-6-4-3-5-7-11)16-13(19)12-8-9-18(2)17-12/h8-9,11H,3-7H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyGZPYJWKCZGWZSY-CQSZACIVSA-N
XLogP2.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-methylpyrazole-3-carboxamide
CID 69925136
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
Rel-(9AR,13AS)-1-[(1-methyl-1H-pyrazol-5-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201237
Rel-(9AR,13AS)-1-[(1-ethyl-1H-pyrazol-5-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201238
Rel-(9AR,13AS)-1-[(1-ethyl-1H-pyrazol-3-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201239
5-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201709
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56706392
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1-isopropyl-1H-pyrazole-5-carboxamide
CID 119066771
2-Azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136314
N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143578
1-Azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone
CID 126834435

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide (CID 164634416) is N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)n1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GZPYJWKCZGWZSY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(10-15,11-6-4-3-5-7-11)16-13(19)12-8-9-18(2)17-12/h8-9,11H,3-7H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide?
N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclohexylethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164634416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).