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

C20H14ClFN4OS — CID 24597712

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H14ClFN4OS/c21-14-5-1-12(2-6-14)9-16-10-23-20(28-16)25-19(27)17-11-24-26-18(17)13-3-7-15(22)8-4-13/h1-8,10-11H,9H2,(H,24,26)(H,23,25,27)
InChIKeyOJQQTAUZPIDBKT-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.17
Rot. Bonds5

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

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 24597712) has the molecular formula C20H14ClFN4OS and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID24597712
Molecular FormulaC20H14ClFN4OS
Molecular Weight412.88 g/mol
Exact Mass412.06
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H14ClFN4OS/c21-14-5-1-12(2-6-14)9-16-10-23-20(28-16)25-19(27)17-11-24-26-18(17)13-3-7-15(22)8-4-13/h1-8,10-11H,9H2,(H,24,26)(H,23,25,27)
InChIKeyOJQQTAUZPIDBKT-UHFFFAOYSA-N
XLogP5.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
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N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 24668121
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 71590184
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3474856
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-fluorophenyl)prop-2-enamide
CID 1190845
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 24597712) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is OJQQTAUZPIDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4OS/c21-14-5-1-12(2-6-14)9-16-10-23-20(28-16)25-19(27)17-11-24-26-18(17)13-3-7-15(22)8-4-13/h1-8,10-11H,9H2,(H,24,26)(H,23,25,27).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).