4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol

C25H24N2O — CID 135430134

IUPAC4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol
SMILESCC(C)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O/c1-18(2)17-23-24(19-9-5-3-6-10-19)26-27(21-11-7-4-8-12-21)25(23)20-13-15-22(28)16-14-20/h3-16,18,28H,17H2,1-2H3
InChIKeyHDNPBLWYXSVUFK-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.11
Rot. Bonds5

About 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol

4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol (PubChem CID 135430134) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol
PubChem CID135430134
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol
SMILESCC(C)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O/c1-18(2)17-23-24(19-9-5-3-6-10-19)26-27(21-11-7-4-8-12-21)25(23)20-13-15-22(28)16-14-20/h3-16,18,28H,17H2,1-2H3
InChIKeyHDNPBLWYXSVUFK-UHFFFAOYSA-N
XLogP6.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol?
The IUPAC name of 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol (CID 135430134) is 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol is CC(C)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol?
The InChIKey is HDNPBLWYXSVUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18(2)17-23-24(19-9-5-3-6-10-19)26-27(21-11-7-4-8-12-21)25(23)20-13-15-22(28)16-14-20/h3-16,18,28H,17H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol?
4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol has a molecular weight of 368.48 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135430134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).