4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H10F2N4O — CID 63185938

IUPAC4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H10F2N4O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3,14H2,(H,15,18)(H,16,17)
InChIKeyITTYGZZGAOTIMK-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.20
Rot. Bonds3

About 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 63185938) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID63185938
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H10F2N4O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3,14H2,(H,15,18)(H,16,17)
InChIKeyITTYGZZGAOTIMK-UHFFFAOYSA-N
XLogP1.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.20
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

3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 63185938) is 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is Nc1c(F)cc(C(=O)NCc2cn[nH]c2)cc1F.
What is the InChIKey of 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is ITTYGZZGAOTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-8-1-7(2-9(13)10(8)14)11(18)15-3-6-4-16-17-5-6/h1-2,4-5H,3,14H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 252.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 63185938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).