5-butyl-3-phenyl-1H-pyrazol-4-ol

C13H16N2O — CID 170556876

IUPAC5-butyl-3-phenyl-1H-pyrazol-4-ol
SMILESCCCCc1[nH]nc(-c2ccccc2)c1O
InChIInChI=1S/C13H16N2O/c1-2-3-9-11-13(16)12(15-14-11)10-7-5-4-6-8-10/h4-8,16H,2-3,9H2,1H3,(H,14,15)
InChIKeyAEWJYGXZQBSPSJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.12
Rot. Bonds4

About 5-butyl-3-phenyl-1H-pyrazol-4-ol

5-butyl-3-phenyl-1H-pyrazol-4-ol (PubChem CID 170556876) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-butyl-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-butyl-3-phenyl-1H-pyrazol-4-ol
PubChem CID170556876
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-butyl-3-phenyl-1H-pyrazol-4-ol
SMILESCCCCc1[nH]nc(-c2ccccc2)c1O
InChIInChI=1S/C13H16N2O/c1-2-3-9-11-13(16)12(15-14-11)10-7-5-4-6-8-10/h4-8,16H,2-3,9H2,1H3,(H,14,15)
InChIKeyAEWJYGXZQBSPSJ-UHFFFAOYSA-N
XLogP3.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-butyl-3-phenyl-1H-pyrazol-4-ol (CID 170556876) is 5-butyl-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-butyl-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-butyl-3-phenyl-1H-pyrazol-4-ol is CCCCc1[nH]nc(-c2ccccc2)c1O.
What is the InChIKey of 5-butyl-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is AEWJYGXZQBSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-9-11-13(16)12(15-14-11)10-7-5-4-6-8-10/h4-8,16H,2-3,9H2,1H3,(H,14,15).
What are the key properties of 5-butyl-3-phenyl-1H-pyrazol-4-ol?
5-butyl-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 216.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 170556876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).