N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C25H20ClN5OS — CID 40942349

IUPACN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESC[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H20ClN5OS/c1-17-16-33-25(28-17)31(21-11-9-19(26)10-12-21)24(32)22-15-30(20-7-3-2-4-8-20)29-23(22)18-6-5-13-27-14-18/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyHNZWZVFKXZSHDW-QGZVFWFLSA-N
MW473.99 g/mol
LogP5.73
Rot. Bonds4

About N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 40942349) has the molecular formula C25H20ClN5OS and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID40942349
Molecular FormulaC25H20ClN5OS
Molecular Weight473.99 g/mol
Exact Mass473.11
IUPAC NameN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESC[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H20ClN5OS/c1-17-16-33-25(28-17)31(21-11-9-19(26)10-12-21)24(32)22-15-30(20-7-3-2-4-8-20)29-23(22)18-6-5-13-27-14-18/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyHNZWZVFKXZSHDW-QGZVFWFLSA-N
XLogP5.73
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
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CID 60557626
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 4963802
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CID 17486470
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CID 4968780
[(5S)-2-(3,4-dichlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 2472029
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 40942349) is N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is C[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is HNZWZVFKXZSHDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H20ClN5OS/c1-17-16-33-25(28-17)31(21-11-9-19(26)10-12-21)24(32)22-15-30(20-7-3-2-4-8-20)29-23(22)18-6-5-13-27-14-18/h2-15,17H,16H2,1H3/t17-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 40942349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).