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

C34H43N3O2 — CID 135329930

IUPACN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)cc1C
InChIInChI=1S/C34H43N3O2/c1-24-19-29(15-18-33(24)39-2)26-13-11-25(12-14-26)22-36(34(38)27-7-4-3-5-8-27)32-10-6-9-28(20-32)30-21-35-37(23-30)31-16-17-31/h6,9-10,15,18-21,23,25-27,31H,3-5,7-8,11-14,16-17,22H2,1-2H3
InChIKeyPLVLFJUXBIPTIH-UHFFFAOYSA-N
MW525.74 g/mol
LogP8.09
Rot. Bonds8

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

N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 135329930) has the molecular formula C34H43N3O2 and a molecular weight of 525.74 g/mol. Its IUPAC name is N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID135329930
Molecular FormulaC34H43N3O2
Molecular Weight525.74 g/mol
Exact Mass525.34
IUPAC NameN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)cc1C
InChIInChI=1S/C34H43N3O2/c1-24-19-29(15-18-33(24)39-2)26-13-11-25(12-14-26)22-36(34(38)27-7-4-3-5-8-27)32-10-6-9-28(20-32)30-21-35-37(23-30)31-16-17-31/h6,9-10,15,18-21,23,25-27,31H,3-5,7-8,11-14,16-17,22H2,1-2H3
InChIKeyPLVLFJUXBIPTIH-UHFFFAOYSA-N
XLogP8.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 135329930) is N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)cc1C.
What is the InChIKey of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is PLVLFJUXBIPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O2/c1-24-19-29(15-18-33(24)39-2)26-13-11-25(12-14-26)22-36(34(38)27-7-4-3-5-8-27)32-10-6-9-28(20-32)30-21-35-37(23-30)31-16-17-31/h6,9-10,15,18-21,23,25-27,31H,3-5,7-8,11-14,16-17,22H2,1-2H3.
What are the key properties of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 525.74 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 135329930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).