3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H13FN4O — CID 61140950

IUPAC3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C12H13FN4O/c1-7-10(13)2-9(3-11(7)14)12(18)15-4-8-5-16-17-6-8/h2-3,5-6H,4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZFTHKCXRQVQFKB-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61140950) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61140950
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C12H13FN4O/c1-7-10(13)2-9(3-11(7)14)12(18)15-4-8-5-16-17-6-8/h2-3,5-6H,4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZFTHKCXRQVQFKB-UHFFFAOYSA-N
XLogP1.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.37
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

4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 62991277
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61140950) is 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1c(N)cc(C(=O)NCc2cn[nH]c2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is ZFTHKCXRQVQFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-10(13)2-9(3-11(7)14)12(18)15-4-8-5-16-17-6-8/h2-3,5-6H,4,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61140950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).