(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone

C33H33N5OS — CID 42725524

IUPAC(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C33H33N5OS/c1-24(2)30-28(22-34-38(30)33-35-29(23-40-33)25-12-6-3-7-13-25)32(39)37-20-18-36(19-21-37)31(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,22-24,31H,18-21H2,1-2H3
InChIKeyGPSXWGQCIKSVRL-UHFFFAOYSA-N
MW547.73 g/mol
LogP6.67
Rot. Bonds7

About (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone (PubChem CID 42725524) has the molecular formula C33H33N5OS and a molecular weight of 547.73 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone
PubChem CID42725524
Molecular FormulaC33H33N5OS
Molecular Weight547.73 g/mol
Exact Mass547.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C33H33N5OS/c1-24(2)30-28(22-34-38(30)33-35-29(23-40-33)25-12-6-3-7-13-25)32(39)37-20-18-36(19-21-37)31(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,22-24,31H,18-21H2,1-2H3
InChIKeyGPSXWGQCIKSVRL-UHFFFAOYSA-N
XLogP6.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.73
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-(2-fluorophenyl)methanone
CID 42657850
1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-ethylhexan-1-one
CID 3477504
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
N-(4-ethylphenyl)-2-methyl-4-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 4311858
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
[(3S)-4-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperazin-1-yl]-[1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 99683115
4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-4-carbonyl]-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide
CID 42657812
(4-methylpiperazin-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118754782
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
1-[4-[5-ethyl-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 22474583

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone (CID 42725524) is (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone is CC(C)c1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cnn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone?
The InChIKey is GPSXWGQCIKSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5OS/c1-24(2)30-28(22-34-38(30)33-35-29(23-40-33)25-12-6-3-7-13-25)32(39)37-20-18-36(19-21-37)31(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,22-24,31H,18-21H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone has a molecular weight of 547.73 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 42725524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).