N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H10FN3O — CID 60757361

IUPACN-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZXIKWDWPFWTSJV-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.11
Rot. Bonds2

About N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 60757361) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID60757361
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZXIKWDWPFWTSJV-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 106910470
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 60757361) is N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZXIKWDWPFWTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60757361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).