N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

C31H34Cl3N5O — CID 44534594

IUPACN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C31H34Cl3N5O/c1-19-25(17-36-39(19)30-27(33)14-22(32)15-28(30)34)31(40)37-23-8-6-20(7-9-23)18-38-12-10-21(11-13-38)26-16-35-29-5-3-2-4-24(26)29/h2-5,14-17,20-21,23,35H,6-13,18H2,1H3,(H,37,40)
InChIKeyNHTKXZSHUBINEX-UHFFFAOYSA-N
MW599.01 g/mol
LogP7.79
Rot. Bonds6

About N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 44534594) has the molecular formula C31H34Cl3N5O and a molecular weight of 599.01 g/mol. Its IUPAC name is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID44534594
Molecular FormulaC31H34Cl3N5O
Molecular Weight599.01 g/mol
Exact Mass597.18
IUPAC NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C31H34Cl3N5O/c1-19-25(17-36-39(19)30-27(33)14-22(32)15-28(30)34)31(40)37-23-8-6-20(7-9-23)18-38-12-10-21(11-13-38)26-16-35-29-5-3-2-4-24(26)29/h2-5,14-17,20-21,23,35H,6-13,18H2,1H3,(H,37,40)
InChIKeyNHTKXZSHUBINEX-UHFFFAOYSA-N
XLogP7.79
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.01
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (CID 44534594) is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2CCC(CN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is NHTKXZSHUBINEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl3N5O/c1-19-25(17-36-39(19)30-27(33)14-22(32)15-28(30)34)31(40)37-23-8-6-20(7-9-23)18-38-12-10-21(11-13-38)26-16-35-29-5-3-2-4-24(26)29/h2-5,14-17,20-21,23,35H,6-13,18H2,1H3,(H,37,40).
What are the key properties of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 599.01 g/mol, XLogP of 7.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 44534594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).