(1,3-diphenylpyrazol-4-yl)methanol

C16H14N2O — CID 740175

IUPAC(1,3-diphenylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2
InChIKeyRTJRIXAAKFEPLD-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.03
Rot. Bonds3

About (1,3-diphenylpyrazol-4-yl)methanol

(1,3-diphenylpyrazol-4-yl)methanol (PubChem CID 740175) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methanol
PubChem CID740175
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(1,3-diphenylpyrazol-4-yl)methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2
InChIKeyRTJRIXAAKFEPLD-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 752098
CID 752098
CID 882911
CID 882911
CID 3801066
CID 3801066
CID 10000582
CID 10000582
CID 10453115
CID 10453115
CID 10475384
CID 10475384
CID 740185
CID 740185
CID 706607
CID 706607
CID 2795476
CID 2795476
CID 847409
CID 847409
CID 740195
CID 740195
CID 6894324
CID 6894324

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methanol?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methanol (CID 740175) is (1,3-diphenylpyrazol-4-yl)methanol.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methanol?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methanol is OCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methanol?
The InChIKey is RTJRIXAAKFEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methanol?
(1,3-diphenylpyrazol-4-yl)methanol has a molecular weight of 250.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methanol is sourced from PubChem (CID 740175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).