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

C13H15FN4O — CID 106208086

IUPAC5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1cc(N)cc(C(=O)NC(C)c2cn[nH]c2)c1F
InChIInChI=1S/C13H15FN4O/c1-7-3-10(15)4-11(12(7)14)13(19)18-8(2)9-5-16-17-6-9/h3-6,8H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFNHBKIVDUMOFRT-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.93
Rot. Bonds3

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

5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106208086) 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-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106208086
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1cc(N)cc(C(=O)NC(C)c2cn[nH]c2)c1F
InChIInChI=1S/C13H15FN4O/c1-7-3-10(15)4-11(12(7)14)13(19)18-8(2)9-5-16-17-6-9/h3-6,8H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFNHBKIVDUMOFRT-UHFFFAOYSA-N
XLogP1.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.93
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-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855780
4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 113339601
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106208086) is 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is Cc1cc(N)cc(C(=O)NC(C)c2cn[nH]c2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is FNHBKIVDUMOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-3-10(15)4-11(12(7)14)13(19)18-8(2)9-5-16-17-6-9/h3-6,8H,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 262.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106208086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).