N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

C26H26N4OS — CID 162654572

IUPACN-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C26H26N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,28,31)(H,29,30)
InChIKeySYYRYFVPAPVDNB-UHFFFAOYSA-N
MW442.59 g/mol
LogP6.24
Rot. Bonds5

About N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 162654572) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID162654572
Molecular FormulaC26H26N4OS
Molecular Weight442.59 g/mol
Exact Mass442.18
IUPAC NameN-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C26H26N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,28,31)(H,29,30)
InChIKeySYYRYFVPAPVDNB-UHFFFAOYSA-N
XLogP6.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-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-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 162654572) is N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NC2CCCCC2)n[nH]1.
What is the InChIKey of N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is SYYRYFVPAPVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162654572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).