N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C24H19FN4O — CID 46920240

IUPACN-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)ccc21
InChIInChI=1S/C24H19FN4O/c1-2-29-22-6-4-3-5-18(22)19-13-17(11-12-23(19)29)26-24(30)21-14-20(27-28-21)15-7-9-16(25)10-8-15/h3-14H,2H2,1H3,(H,26,30)(H,27,28)
InChIKeyWTFVEWOVWLIUGL-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.60
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920240) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920240
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)ccc21
InChIInChI=1S/C24H19FN4O/c1-2-29-22-6-4-3-5-18(22)19-13-17(11-12-23(19)29)26-24(30)21-14-20(27-28-21)15-7-9-16(25)10-8-15/h3-14H,2H2,1H3,(H,26,30)(H,27,28)
InChIKeyWTFVEWOVWLIUGL-UHFFFAOYSA-N
XLogP5.60
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 46920240) is N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WTFVEWOVWLIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-2-29-22-6-4-3-5-18(22)19-13-17(11-12-23(19)29)26-24(30)21-14-20(27-28-21)15-7-9-16(25)10-8-15/h3-14H,2H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).