N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide

C23H17N3O — CID 11537619

IUPACN-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H17N3O/c27-23(25-21-11-3-4-12-22(21)26-14-6-13-24-26)19-10-5-9-18-17-8-2-1-7-16(17)15-20(18)19/h1-14H,15H2,(H,25,27)
InChIKeyXAJHWIHGYYDRGF-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.70
Rot. Bonds3

About N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide

N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide (PubChem CID 11537619) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide
PubChem CID11537619
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC NameN-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H17N3O/c27-23(25-21-11-3-4-12-22(21)26-14-6-13-24-26)19-10-5-9-18-17-8-2-1-7-16(17)15-20(18)19/h1-14H,15H2,(H,25,27)
InChIKeyXAJHWIHGYYDRGF-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide (CID 11537619) is N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide?
The InChIKey is XAJHWIHGYYDRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23(25-21-11-3-4-12-22(21)26-14-6-13-24-26)19-10-5-9-18-17-8-2-1-7-16(17)15-20(18)19/h1-14H,15H2,(H,25,27).
What are the key properties of N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide?
N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 11537619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).