4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide

C19H24N4O2 — CID 19404792

IUPAC4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCCC2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-2-23-13-16(21-18(24)14-9-5-3-6-10-14)17(22-23)19(25)20-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyZLNCNLZPKYZLQJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.67
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide

4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide (PubChem CID 19404792) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
PubChem CID19404792
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCCC2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-2-23-13-16(21-18(24)14-9-5-3-6-10-14)17(22-23)19(25)20-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyZLNCNLZPKYZLQJ-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19402676
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
3-(1-adamantyl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19473825
(2R,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619006
(2S,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619004
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide (CID 19404792) is 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide is CCn1cc(NC(=O)C2CCCCC2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is ZLNCNLZPKYZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23-13-16(21-18(24)14-9-5-3-6-10-14)17(22-23)19(25)20-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide?
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19404792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).