1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

C12H16N4O — CID 56789937

IUPAC1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CCCCC2)n[nH]1
InChIInChI=1S/C12H16N4O/c1-9-7-10(16-15-9)14-11(17)12(8-13)5-3-2-4-6-12/h7H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyRHJBARPXIMBMGM-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.13
Rot. Bonds2

About 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 56789937) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID56789937
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CCCCC2)n[nH]1
InChIInChI=1S/C12H16N4O/c1-9-7-10(16-15-9)14-11(17)12(8-13)5-3-2-4-6-12/h7H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyRHJBARPXIMBMGM-UHFFFAOYSA-N
XLogP2.13
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (CID 56789937) is 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(C#N)CCCCC2)n[nH]1.
What is the InChIKey of 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is RHJBARPXIMBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-7-10(16-15-9)14-11(17)12(8-13)5-3-2-4-6-12/h7H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 56789937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).