1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

C25H24ClN5OS — CID 17039133

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C25H24ClN5OS/c26-20-10-8-18(9-11-20)22-17-33-25(28-22)31-23(19-6-2-1-3-7-19)16-21(29-31)24(32)27-12-15-30-13-4-5-14-30/h1-3,6-11,16-17H,4-5,12-15H2,(H,27,32)
InChIKeyOUKAQLOSRCUGOH-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.14
Rot. Bonds7

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 17039133) has the molecular formula C25H24ClN5OS and a molecular weight of 478.02 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID17039133
Molecular FormulaC25H24ClN5OS
Molecular Weight478.02 g/mol
Exact Mass477.14
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C25H24ClN5OS/c26-20-10-8-18(9-11-20)22-17-33-25(28-22)31-23(19-6-2-1-3-7-19)16-21(29-31)24(32)27-12-15-30-13-4-5-14-30/h1-3,6-11,16-17H,4-5,12-15H2,(H,27,32)
InChIKeyOUKAQLOSRCUGOH-UHFFFAOYSA-N
XLogP5.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 17039137
7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877285
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-tert-butyl-5-(4-chlorophenyl)pyrazole-3-carboxamide
CID 51349331
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758609
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 17038226
4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875145
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
(6R)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743830
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (CID 17039133) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is O=C(NCCN1CCCC1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is OUKAQLOSRCUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5OS/c26-20-10-8-18(9-11-20)22-17-33-25(28-22)31-23(19-6-2-1-3-7-19)16-21(29-31)24(32)27-12-15-30-13-4-5-14-30/h1-3,6-11,16-17H,4-5,12-15H2,(H,27,32).
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 478.02 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 17039133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).