(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol

C17H16N2O2 — CID 61088954

IUPAC(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17(20)14-11-18-19(12-14)15-7-3-2-4-8-15/h2-12,17,20H,1H3
InChIKeyYGILEHLNCGCGKK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds4

About (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol

(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088954) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088954
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17(20)14-11-18-19(12-14)15-7-3-2-4-8-15/h2-12,17,20H,1H3
InChIKeyYGILEHLNCGCGKK-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol (CID 61088954) is (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol is COc1cccc(C(O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is YGILEHLNCGCGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17(20)14-11-18-19(12-14)15-7-3-2-4-8-15/h2-12,17,20H,1H3.
What are the key properties of (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol?
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 280.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).