5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide

C14H17FN4O — CID 106032747

IUPAC5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCc2cnn(C)c2C)c1F
InChIInChI=1S/C14H17FN4O/c1-8-4-11(16)5-12(13(8)15)14(20)17-6-10-7-18-19(3)9(10)2/h4-5,7H,6,16H2,1-3H3,(H,17,20)
InChIKeyHIHHDKUAQOZKAD-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide

5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 106032747) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID106032747
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCc2cnn(C)c2C)c1F
InChIInChI=1S/C14H17FN4O/c1-8-4-11(16)5-12(13(8)15)14(20)17-6-10-7-18-19(3)9(10)2/h4-5,7H,6,16H2,1-3H3,(H,17,20)
InChIKeyHIHHDKUAQOZKAD-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.69
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-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 103296656
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide (CID 106032747) is 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCc2cnn(C)c2C)c1F.
What is the InChIKey of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is HIHHDKUAQOZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-4-11(16)5-12(13(8)15)14(20)17-6-10-7-18-19(3)9(10)2/h4-5,7H,6,16H2,1-3H3,(H,17,20).
What are the key properties of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 276.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 106032747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).