N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H12FN3OS — CID 55741810

IUPACN-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12FN3OS/c1-9-7-10(16)4-5-11(9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHXEVIWHKHANGJK-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.84
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55741810) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55741810
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12FN3OS/c1-9-7-10(16)4-5-11(9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHXEVIWHKHANGJK-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122262928
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509180
N-(4-fluoro-2-methylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 75418669
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55741810) is N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HXEVIWHKHANGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-9-7-10(16)4-5-11(9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55741810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).