N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C19H16FN3O — CID 38735899

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O/c20-15-5-8-17(9-6-15)23-11-10-18(22-23)19(24)21-16-7-4-13-2-1-3-14(13)12-16/h4-12H,1-3H2,(H,21,24)
InChIKeyKXEWDZIXVUIWHT-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.75
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38735899) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38735899
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O/c20-15-5-8-17(9-6-15)23-11-10-18(22-23)19(24)21-16-7-4-13-2-1-3-14(13)12-16/h4-12H,1-3H2,(H,21,24)
InChIKeyKXEWDZIXVUIWHT-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38735899) is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is KXEWDZIXVUIWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-5-8-17(9-6-15)23-11-10-18(22-23)19(24)21-16-7-4-13-2-1-3-14(13)12-16/h4-12H,1-3H2,(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38735899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).