4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide

C11H10ClFN4O — CID 65355117

IUPAC4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-8(14)10(16-17)11(18)15-9-4-6(12)2-3-7(9)13/h2-5H,14H2,1H3,(H,15,18)
InChIKeyYZEYXLUOKVGFOG-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.05
Rot. Bonds2

About 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355117) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65355117
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-8(14)10(16-17)11(18)15-9-4-6(12)2-3-7(9)13/h2-5H,14H2,1H3,(H,15,18)
InChIKeyYZEYXLUOKVGFOG-UHFFFAOYSA-N
XLogP2.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
CID 65355080

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 65355117) is 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YZEYXLUOKVGFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-17-5-8(14)10(16-17)11(18)15-9-4-6(12)2-3-7(9)13/h2-5H,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 268.68 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).