4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide

C32H41N3O3 — CID 135329918

IUPAC4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-n4ccc(C)n4)c3)CC2)cc1C
InChIInChI=1S/C32H41N3O3/c1-22-19-27(13-16-31(22)38-3)25-9-7-24(8-10-25)21-34(32(37)26-11-14-30(36)15-12-26)28-5-4-6-29(20-28)35-18-17-23(2)33-35/h4-6,13,16-20,24-26,30,36H,7-12,14-15,21H2,1-3H3
InChIKeyZWRKAKRLOXUFMH-UHFFFAOYSA-N
MW515.70 g/mol
LogP6.36
Rot. Bonds7

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 135329918) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID135329918
Molecular FormulaC32H41N3O3
Molecular Weight515.70 g/mol
Exact Mass515.31
IUPAC Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-n4ccc(C)n4)c3)CC2)cc1C
InChIInChI=1S/C32H41N3O3/c1-22-19-27(13-16-31(22)38-3)25-9-7-24(8-10-25)21-34(32(37)26-11-14-30(36)15-12-26)28-5-4-6-29(20-28)35-18-17-23(2)33-35/h4-6,13,16-20,24-26,30,36H,7-12,14-15,21H2,1-3H3
InChIKeyZWRKAKRLOXUFMH-UHFFFAOYSA-N
XLogP6.36
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide (CID 135329918) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-n4ccc(C)n4)c3)CC2)cc1C.
What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZWRKAKRLOXUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-22-19-27(13-16-31(22)38-3)25-9-7-24(8-10-25)21-34(32(37)26-11-14-30(36)15-12-26)28-5-4-6-29(20-28)35-18-17-23(2)33-35/h4-6,13,16-20,24-26,30,36H,7-12,14-15,21H2,1-3H3.
What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 515.70 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methylpyrazol-1-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).