4-propyl-2-(1H-pyrazol-5-yl)phenol

C12H14N2O — CID 155513564

IUPAC4-propyl-2-(1H-pyrazol-5-yl)phenol
SMILESCCCc1ccc(O)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-2-3-9-4-5-12(15)10(8-9)11-6-7-13-14-11/h4-8,15H,2-3H2,1H3,(H,13,14)
InChIKeyIPJHONRXGCLDGY-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.73
Rot. Bonds3

About 4-propyl-2-(1H-pyrazol-5-yl)phenol

4-propyl-2-(1H-pyrazol-5-yl)phenol (PubChem CID 155513564) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-propyl-2-(1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-propyl-2-(1H-pyrazol-5-yl)phenol
PubChem CID155513564
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-propyl-2-(1H-pyrazol-5-yl)phenol
SMILESCCCc1ccc(O)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-2-3-9-4-5-12(15)10(8-9)11-6-7-13-14-11/h4-8,15H,2-3H2,1H3,(H,13,14)
InChIKeyIPJHONRXGCLDGY-UHFFFAOYSA-N
XLogP2.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-propyl-2-(1H-pyrazol-5-yl)phenol (CID 155513564) is 4-propyl-2-(1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-propyl-2-(1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-propyl-2-(1H-pyrazol-5-yl)phenol is CCCc1ccc(O)c(-c2ccn[nH]2)c1.
What is the InChIKey of 4-propyl-2-(1H-pyrazol-5-yl)phenol?
The InChIKey is IPJHONRXGCLDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-9-4-5-12(15)10(8-9)11-6-7-13-14-11/h4-8,15H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-propyl-2-(1H-pyrazol-5-yl)phenol?
4-propyl-2-(1H-pyrazol-5-yl)phenol has a molecular weight of 202.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 155513564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).