N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

C14H11FN4OS — CID 25284523

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H11FN4OS/c1-19-12(6-7-16-19)13(20)18-14-17-11(8-21-14)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,17,18,20)
InChIKeyRCONIGFANFAVAW-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.93
Rot. Bonds3

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 25284523) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID25284523
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H11FN4OS/c1-19-12(6-7-16-19)13(20)18-14-17-11(8-21-14)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,17,18,20)
InChIKeyRCONIGFANFAVAW-UHFFFAOYSA-N
XLogP2.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155527522
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 998685
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 999259
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11675904
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 2092860
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32069800

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 25284523) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RCONIGFANFAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c1-19-12(6-7-16-19)13(20)18-14-17-11(8-21-14)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).