N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide

C12H12F2N4O — CID 66126880

IUPACN-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)c(F)cc2F)n(C)n1
InChIInChI=1S/C12H12F2N4O/c1-6-3-11(18(2)17-6)12(19)16-10-5-9(15)7(13)4-8(10)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyUOBQNLFKIHLTAP-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.84
Rot. Bonds2

About N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 66126880) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID66126880
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)c(F)cc2F)n(C)n1
InChIInChI=1S/C12H12F2N4O/c1-6-3-11(18(2)17-6)12(19)16-10-5-9(15)7(13)4-8(10)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyUOBQNLFKIHLTAP-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 107800757

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 66126880) is N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(N)c(F)cc2F)n(C)n1.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UOBQNLFKIHLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-6-3-11(18(2)17-6)12(19)16-10-5-9(15)7(13)4-8(10)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66126880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).