2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide

C12H12F2N4O — CID 104616474

IUPAC2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(F)cc2N)c1C
InChIInChI=1S/C12H12F2N4O/c1-5-6(2)17-18-11(5)16-12(19)7-3-8(13)9(14)4-10(7)15/h3-4H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIKZQFXCEUQQZLA-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide (PubChem CID 104616474) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
PubChem CID104616474
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(F)cc2N)c1C
InChIInChI=1S/C12H12F2N4O/c1-5-6(2)17-18-11(5)16-12(19)7-3-8(13)9(14)4-10(7)15/h3-4H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIKZQFXCEUQQZLA-UHFFFAOYSA-N
XLogP2.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide
CID 82781958
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide (CID 104616474) is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide is Cc1[nH]nc(NC(=O)c2cc(F)c(F)cc2N)c1C.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide?
The InChIKey is IKZQFXCEUQQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-5-6(2)17-18-11(5)16-12(19)7-3-8(13)9(14)4-10(7)15/h3-4H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide?
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide has a molecular weight of 266.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide is sourced from PubChem (CID 104616474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).