N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide

C17H15FN4O — CID 170346210

IUPACN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
SMILESCn1nc(-c2ccc(N)cc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H15FN4O/c1-22-16(20-17(23)13-4-2-3-5-14(13)18)10-15(21-22)11-6-8-12(19)9-7-11/h2-10H,19H2,1H3,(H,20,23)
InChIKeyPQRZBHYDGFGVJH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.06
Rot. Bonds3

About N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide

N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide (PubChem CID 170346210) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
PubChem CID170346210
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
SMILESCn1nc(-c2ccc(N)cc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H15FN4O/c1-22-16(20-17(23)13-4-2-3-5-14(13)18)10-15(21-22)11-6-8-12(19)9-7-11/h2-10H,19H2,1H3,(H,20,23)
InChIKeyPQRZBHYDGFGVJH-UHFFFAOYSA-N
XLogP3.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.06
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

N-[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170413097
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 58487519
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-3-azidobenzamide
CID 170346234
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide (CID 170346210) is N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide is Cn1nc(-c2ccc(N)cc2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide?
The InChIKey is PQRZBHYDGFGVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-16(20-17(23)13-4-2-3-5-14(13)18)10-15(21-22)11-6-8-12(19)9-7-11/h2-10H,19H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide?
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide has a molecular weight of 310.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 170346210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).