2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane

C21H23N3O — CID 144617182

IUPAC2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane
SMILESCC.Nc1c(C#Cc2ccccc2)c(-c2ccccc2)nn1CCO
InChIInChI=1S/C19H17N3O.C2H6/c20-19-17(12-11-15-7-3-1-4-8-15)18(21-22(19)13-14-23)16-9-5-2-6-10-16;1-2/h1-10,23H,13-14,20H2;1-2H3
InChIKeyGHENVGFCLPCHIL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.55
Rot. Bonds3

About 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane

2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane (PubChem CID 144617182) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane
PubChem CID144617182
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane
SMILESCC.Nc1c(C#Cc2ccccc2)c(-c2ccccc2)nn1CCO
InChIInChI=1S/C19H17N3O.C2H6/c20-19-17(12-11-15-7-3-1-4-8-15)18(21-22(19)13-14-23)16-9-5-2-6-10-16;1-2/h1-10,23H,13-14,20H2;1-2H3
InChIKeyGHENVGFCLPCHIL-UHFFFAOYSA-N
XLogP3.55
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]acetate
CID 140639473
2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethyl 2-(5-acetamido-4-iodo-3-phenylpyrazol-1-yl)acetate;ethyl 2-[5-acetamido-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]acetate;ethyl 2-(5-acetamido-3-phenylpyrazol-1-yl)acetate;ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate;ethynylbenzene
CID 159415565
2-[4,5-diamino-3-(4-methylphenyl)pyrazol-1-yl]ethanol
CID 23496372
5-amino-3-(3-ethoxy-4-methoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 68707523
2,4-diphenyl-3-(2-phenylethynyl)pyridine
CID 139203994
5-amino-3-(4-ethylphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360347
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol
CID 66576724
1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine
CID 160797712
5-amino-3-[4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 90075670
1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
CID 10404674
2-(5-amino-3-benzylpyrazol-1-yl)ethanol
CID 82078985
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane?
The IUPAC name of 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane (CID 144617182) is 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane.
What is the SMILES notation for 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane?
The canonical SMILES for 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane is CC.Nc1c(C#Cc2ccccc2)c(-c2ccccc2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane?
The InChIKey is GHENVGFCLPCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.C2H6/c20-19-17(12-11-15-7-3-1-4-8-15)18(21-22(19)13-14-23)16-9-5-2-6-10-16;1-2/h1-10,23H,13-14,20H2;1-2H3.
What are the key properties of 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane?
2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane has a molecular weight of 333.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane is sourced from PubChem (CID 144617182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).