3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide

C26H30N4O3 — CID 47083532

IUPAC3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C26H30N4O3/c1-17-7-13-21(14-8-17)30-16-23(24(29-30)19-5-4-6-22(15-19)33-3)26(32)28-20-11-9-18(10-12-20)25(31)27-2/h4-8,13-16,18,20H,9-12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyPZHVRINGQNPOCL-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.89
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide

3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 47083532) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID47083532
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C26H30N4O3/c1-17-7-13-21(14-8-17)30-16-23(24(29-30)19-5-4-6-22(15-19)33-3)26(32)28-20-11-9-18(10-12-20)25(31)27-2/h4-8,13-16,18,20H,9-12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyPZHVRINGQNPOCL-UHFFFAOYSA-N
XLogP3.89
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 47083532) is 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide is CNC(=O)C1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is PZHVRINGQNPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17-7-13-21(14-8-17)30-16-23(24(29-30)19-5-4-6-22(15-19)33-3)26(32)28-20-11-9-18(10-12-20)25(31)27-2/h4-8,13-16,18,20H,9-12H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47083532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).