4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol

C18H18N2O2 — CID 135925692

IUPAC4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol
SMILESCCCc1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-3-14-12-20(15-6-10-17(22)11-7-15)19-18(14)13-4-8-16(21)9-5-13/h4-12,21-22H,2-3H2,1H3
InChIKeyHTMIOGNQDXQXAQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.90
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol

4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol (PubChem CID 135925692) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol
PubChem CID135925692
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol
SMILESCCCc1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-3-14-12-20(15-6-10-17(22)11-7-15)19-18(14)13-4-8-16(21)9-5-13/h4-12,21-22H,2-3H2,1H3
InChIKeyHTMIOGNQDXQXAQ-UHFFFAOYSA-N
XLogP3.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol (CID 135925692) is 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol is CCCc1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol?
The InChIKey is HTMIOGNQDXQXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-3-14-12-20(15-6-10-17(22)11-7-15)19-18(14)13-4-8-16(21)9-5-13/h4-12,21-22H,2-3H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol?
4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol has a molecular weight of 294.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol is sourced from PubChem (CID 135925692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).