5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

C17H14FN3O2 — CID 17487935

IUPAC5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H14FN3O2/c1-23-14-4-2-3-13(9-14)20-17(22)15-10-19-21-16(15)11-5-7-12(18)8-6-11/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyCTJAMINMCHQAHA-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.48
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 17487935) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID17487935
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H14FN3O2/c1-23-14-4-2-3-13(9-14)20-17(22)15-10-19-21-16(15)11-5-7-12(18)8-6-11/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyCTJAMINMCHQAHA-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 166203360
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
5-(4-methoxyphenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 78834040
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 112807637
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865277

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 17487935) is 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CTJAMINMCHQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-14-4-2-3-13(9-14)20-17(22)15-10-19-21-16(15)11-5-7-12(18)8-6-11/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17487935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).