5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

C20H26N4O2 — CID 51999785

IUPAC5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-24-18(22-19(25)16-10-6-3-7-11-16)14-17(23-24)20(26)21-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyOCCJQOBXOHGKSB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.91
Rot. Bonds6

About 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide

5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (PubChem CID 51999785) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
PubChem CID51999785
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-24-18(22-19(25)16-10-6-3-7-11-16)14-17(23-24)20(26)21-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyOCCJQOBXOHGKSB-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclopropanecarbonylamino)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998610
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 51999832
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclohexanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767268
5-(cyclopentanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767261
5-(cyclopentanecarbonylamino)-N-[(2-fluorophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 51999602
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
CID 51999688

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide (CID 51999785) is 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is OCCJQOBXOHGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24-18(22-19(25)16-10-6-3-7-11-16)14-17(23-24)20(26)21-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide?
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).