5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide

C10H9ClFN5O — CID 86701885

IUPAC5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(F)c(Cl)c2)n[nH]c1N
InChIInChI=1S/C10H9ClFN5O/c11-5-3-4(1-2-6(5)12)15-10-7(9(14)18)8(13)16-17-10/h1-3H,(H2,14,18)(H4,13,15,16,17)
InChIKeyKSSBVLJBNPHQTI-UHFFFAOYSA-N
MW269.67 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide (PubChem CID 86701885) has the molecular formula C10H9ClFN5O and a molecular weight of 269.67 g/mol. Its IUPAC name is 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide
PubChem CID86701885
Molecular FormulaC10H9ClFN5O
Molecular Weight269.67 g/mol
Exact Mass269.05
IUPAC Name5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(F)c(Cl)c2)n[nH]c1N
InChIInChI=1S/C10H9ClFN5O/c11-5-3-4(1-2-6(5)12)15-10-7(9(14)18)8(13)16-17-10/h1-3H,(H2,14,18)(H4,13,15,16,17)
InChIKeyKSSBVLJBNPHQTI-UHFFFAOYSA-N
XLogP1.63
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948874
5-Anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
CID 171350945
5-amino-3-((3-chloro-4-fluorophenyl)amino)-N-phenyl-1h-pyrazole-4-carboxamide
CID 164608597
5-amino-N-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608611
5-amino-N-(3-chloro-4-fluorophenyl)-3-((3-chlorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608622
5-Amino-3-(phenylamino)-1h-pyrazole-4-carboxamide
CID 2357212
4-hydroxy-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 135577998
1H-Pyrazole-4-carboxylic acid, 5-amino-3-(2-fluorophenylamino)-, amide
CID 6425465
3-amino-6-(4-chlorophenyl)-5-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15951646
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765484
5-(3-chloroanilino)-3-[(2-chloro-6-fluorophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765517
5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765518

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide (CID 86701885) is 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(F)c(Cl)c2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is KSSBVLJBNPHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O/c11-5-3-4(1-2-6(5)12)15-10-7(9(14)18)8(13)16-17-10/h1-3H,(H2,14,18)(H4,13,15,16,17).
What are the key properties of 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 269.67 g/mol, XLogP of 1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).