5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H15FN4O — CID 103296226

IUPAC5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCc2cnn(C)c2)c1F
InChIInChI=1S/C13H15FN4O/c1-8-3-10(15)4-11(12(8)14)13(19)16-5-9-6-17-18(2)7-9/h3-4,6-7H,5,15H2,1-2H3,(H,16,19)
InChIKeyHXZDBBNMMFCIAD-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.38
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 103296226) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID103296226
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(N)cc(C(=O)NCc2cnn(C)c2)c1F
InChIInChI=1S/C13H15FN4O/c1-8-3-10(15)4-11(12(8)14)13(19)16-5-9-6-17-18(2)7-9/h3-4,6-7H,5,15H2,1-2H3,(H,16,19)
InChIKeyHXZDBBNMMFCIAD-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 62185630
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 103296226) is 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1cc(N)cc(C(=O)NCc2cnn(C)c2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is HXZDBBNMMFCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-3-10(15)4-11(12(8)14)13(19)16-5-9-6-17-18(2)7-9/h3-4,6-7H,5,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 262.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 103296226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).