(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol

C16H13IN2O — CID 61088962

IUPAC(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccccc1I
InChIInChI=1S/C16H13IN2O/c17-15-9-5-4-8-14(15)16(20)12-10-18-19(11-12)13-6-2-1-3-7-13/h1-11,16,20H
InChIKeyROIYHDUIRFERCF-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.56
Rot. Bonds3

About (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol

(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088962) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088962
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccccc1I
InChIInChI=1S/C16H13IN2O/c17-15-9-5-4-8-14(15)16(20)12-10-18-19(11-12)13-6-2-1-3-7-13/h1-11,16,20H
InChIKeyROIYHDUIRFERCF-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
CID 114994793
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907
4-[bromo-(4-iodophenyl)methyl]-1-phenylpyrazole
CID 63441044
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol (CID 61088962) is (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is ROIYHDUIRFERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c17-15-9-5-4-8-14(15)16(20)12-10-18-19(11-12)13-6-2-1-3-7-13/h1-11,16,20H.
What are the key properties of (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol?
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 376.20 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).