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

C11H10ClFN4O — CID 2799569

IUPAC3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-7(10(14)16-17)11(18)15-6-2-3-9(13)8(12)4-6/h2-5H,1H3,(H2,14,16)(H,15,18)
InChIKeyQXKQWEJCJSWKAS-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.05
Rot. Bonds2

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

3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 2799569) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID2799569
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-7(10(14)16-17)11(18)15-6-2-3-9(13)8(12)4-6/h2-5H,1H3,(H2,14,16)(H,15,18)
InChIKeyQXKQWEJCJSWKAS-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 2799569) is 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QXKQWEJCJSWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-17-5-7(10(14)16-17)11(18)15-6-2-3-9(13)8(12)4-6/h2-5H,1H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide?
3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-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 3-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2799569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).