1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide

C19H24N4O2 — CID 138998233

IUPAC1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-14-13-17(22-23(14)16-9-5-3-6-10-16)20-18(25)19(21-15(2)24)11-7-4-8-12-19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,21,24)(H,20,22,25)
InChIKeyZAUIWKMMTLGMNY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds4

About 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide

1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 138998233) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID138998233
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-14-13-17(22-23(14)16-9-5-3-6-10-16)20-18(25)19(21-15(2)24)11-7-4-8-12-19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,21,24)(H,20,22,25)
InChIKeyZAUIWKMMTLGMNY-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide (CID 138998233) is 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CCCCC1.
What is the InChIKey of 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is ZAUIWKMMTLGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-13-17(22-23(14)16-9-5-3-6-10-16)20-18(25)19(21-15(2)24)11-7-4-8-12-19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,21,24)(H,20,22,25).
What are the key properties of 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide?
1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 138998233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).