5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide

C20H26N4O3 — CID 51999865

IUPAC5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCCC2)n(C)n1
InChIInChI=1S/C20H26N4O3/c1-24-18(22-19(25)14-8-4-3-5-9-14)12-16(23-24)20(26)21-13-15-10-6-7-11-17(15)27-2/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyCXGUJBAUUZEEHM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.88
Rot. Bonds6

About 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide

5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 51999865) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID51999865
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCCC2)n(C)n1
InChIInChI=1S/C20H26N4O3/c1-24-18(22-19(25)14-8-4-3-5-9-14)12-16(23-24)20(26)21-13-15-10-6-7-11-17(15)27-2/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyCXGUJBAUUZEEHM-UHFFFAOYSA-N
XLogP2.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 51999832
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
5-(cyclopentanecarbonylamino)-N-[(2-fluorophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 51999602
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
5-(cyclopentanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767261
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113042641
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide (CID 51999865) is 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCCC2)n(C)n1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CXGUJBAUUZEEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-24-18(22-19(25)14-8-4-3-5-9-14)12-16(23-24)20(26)21-13-15-10-6-7-11-17(15)27-2/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide?
5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51999865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).