N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide

C35H43N7O2 — CID 164710928

About N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide

N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide (PubChem CID 164710928) has the molecular formula C35H43N7O2 and a molecular weight of 593.78 g/mol. Its IUPAC name is N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide
• PubChem CID: 164710928
• Molecular Formula: C35H43N7O2
• Molecular Weight: 593.78 g/mol
• Exact Mass: 593.35
• IUPAC Name: N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide
• SMILES: COc1ccc(C2CCC(C(c3cccc(-c4cnn(C5CC5)c4)c3)n3nnc(NC(=O)C4CCCCC4)n3)CC2)cc1C
• InChI: InChI=1S/C35H43N7O2/c1-23-19-28(15-18-32(23)44-2)24-11-13-25(14-12-24)33(42-39-35(38-40-42)37-34(43)26-7-4-3-5-8-26)29-10-6-9-27(20-29)30-21-36-41(22-30)31-16-17-31/h6,9-10,15,18-22,24-26,31,33H,3-5,7-8,11-14,16-17H2,1-2H3,(H,37,39,43)
• InChIKey: KGMNEEXOGUUWLF-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.78
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide?

The IUPAC name of N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide (CID 164710928) is N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide.

What is the SMILES notation for N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide?

The canonical SMILES for N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide is COc1ccc(C2CCC(C(c3cccc(-c4cnn(C5CC5)c4)c3)n3nnc(NC(=O)C4CCCCC4)n3)CC2)cc1C.

What is the InChIKey of N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide?

The InChIKey is KGMNEEXOGUUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O2/c1-23-19-28(15-18-32(23)44-2)24-11-13-25(14-12-24)33(42-39-35(38-40-42)37-34(43)26-7-4-3-5-8-26)29-10-6-9-27(20-29)30-21-36-41(22-30)31-16-17-31/h6,9-10,15,18-22,24-26,31,33H,3-5,7-8,11-14,16-17H2,1-2H3,(H,37,39,43).

What are the key properties of N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide?

N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide has a molecular weight of 593.78 g/mol, XLogP of 7.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]tetrazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 164710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).