N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide

C20H18FN5O — CID 39002763

IUPACN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide
SMILESN#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C20H18FN5O/c21-15-8-10-16(11-9-15)26-19(23)17(13-22)18(25-26)7-4-12-24-20(27)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12,23H2,(H,24,27)
InChIKeyFSBCJKADQZAXRE-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.83
Rot. Bonds6

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide (PubChem CID 39002763) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide
PubChem CID39002763
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide
SMILESN#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C20H18FN5O/c21-15-8-10-16(11-9-15)26-19(23)17(13-22)18(25-26)7-4-12-24-20(27)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12,23H2,(H,24,27)
InChIKeyFSBCJKADQZAXRE-UHFFFAOYSA-N
XLogP2.83
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide (CID 39002763) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide is N#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide?
The InChIKey is FSBCJKADQZAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-15-8-10-16(11-9-15)26-19(23)17(13-22)18(25-26)7-4-12-24-20(27)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12,23H2,(H,24,27).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide?
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide has a molecular weight of 363.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide is sourced from PubChem (CID 39002763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).