5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide

C10H8ClFN4O — CID 83241101

IUPAC5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C10H8ClFN4O/c11-7-2-1-5(3-8(7)12)16-9(13)6(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyIMSBDGSUEDTQBB-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.35
Rot. Bonds2

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

5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 83241101) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
PubChem CID83241101
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C10H8ClFN4O/c11-7-2-1-5(3-8(7)12)16-9(13)6(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17)
InChIKeyIMSBDGSUEDTQBB-UHFFFAOYSA-N
XLogP1.35
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide (CID 83241101) is 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(Cl)c(F)c2)c1N.
What is the InChIKey of 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is IMSBDGSUEDTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-7-2-1-5(3-8(7)12)16-9(13)6(4-15-16)10(14)17/h1-4H,13H2,(H2,14,17).
What are the key properties of 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide?
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 83241101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).