4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

C15H15FN6O — CID 42640923

IUPAC4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2nn(C)cc2Nc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN6O/c1-21-7-6-13(19-21)18-15(23)14-12(9-22(2)20-14)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3,(H,18,19,23)
InChIKeyCNVBYEIQTMZMBA-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.29
Rot. Bonds4

About 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 42640923) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID42640923
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2nn(C)cc2Nc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN6O/c1-21-7-6-13(19-21)18-15(23)14-12(9-22(2)20-14)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3,(H,18,19,23)
InChIKeyCNVBYEIQTMZMBA-UHFFFAOYSA-N
XLogP2.29
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 115678259
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
N-(1-methylpyrazol-3-yl)-3-(phenylsulfanylamino)benzamide
CID 170977031
4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
CID 12985697
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (CID 42640923) is 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is Cn1ccc(NC(=O)c2nn(C)cc2Nc2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is CNVBYEIQTMZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-21-7-6-13(19-21)18-15(23)14-12(9-22(2)20-14)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3,(H,18,19,23).
What are the key properties of 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 42640923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).