(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol

C16H15N3O — CID 107330329

IUPAC(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESNc1ccccc1C(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H15N3O/c17-14-9-5-4-8-13(14)16(20)15-10-11-18-19(15)12-6-2-1-3-7-12/h1-11,16,20H,17H2
InChIKeyNSMYXXRYZKETTD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.54
Rot. Bonds3

About (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol

(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol (PubChem CID 107330329) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
PubChem CID107330329
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESNc1ccccc1C(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H15N3O/c17-14-9-5-4-8-13(14)16(20)15-10-11-18-19(15)12-6-2-1-3-7-12/h1-11,16,20H,17H2
InChIKeyNSMYXXRYZKETTD-UHFFFAOYSA-N
XLogP2.54
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330323
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
(6-chloro-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330378
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol (CID 107330329) is (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol is Nc1ccccc1C(O)c1ccnn1-c1ccccc1.
What is the InChIKey of (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol?
The InChIKey is NSMYXXRYZKETTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-14-9-5-4-8-13(14)16(20)15-10-11-18-19(15)12-6-2-1-3-7-12/h1-11,16,20H,17H2.
What are the key properties of (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol?
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol has a molecular weight of 265.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107330329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).