1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine

C19H15N3 — CID 160797712

IUPAC1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine
SMILESC=Cn1nc(N)c(C#Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15N3/c1-2-22-18(16-11-7-4-8-12-16)17(19(20)21-22)14-13-15-9-5-3-6-10-15/h2-12H,1H2,(H2,20,21)
InChIKeySCQRCDKDOSABIY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.63
Rot. Bonds2

About 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine

1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine (PubChem CID 160797712) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine
PubChem CID160797712
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine
SMILESC=Cn1nc(N)c(C#Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15N3/c1-2-22-18(16-11-7-4-8-12-16)17(19(20)21-22)14-13-15-9-5-3-6-10-15/h2-12H,1H2,(H2,20,21)
InChIKeySCQRCDKDOSABIY-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethynyl)azulene
CID 139039957
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
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;ethane
CID 144617182
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1,3,5-trifluoro-2,4,6-tris(2-phenylethynyl)benzene
CID 71374842
1,4-dimethyl-2,3,5,6-tetrakis(2-phenylethynyl)benzene
CID 21461448
1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine
CID 175956127
2,4-diphenyl-3-(2-phenylethynyl)pyridine
CID 139203994
3,10,13,20-tetrakis(2-phenylethynyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 71519456

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine?
The IUPAC name of 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine (CID 160797712) is 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine?
The canonical SMILES for 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine is C=Cn1nc(N)c(C#Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine?
The InChIKey is SCQRCDKDOSABIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-22-18(16-11-7-4-8-12-16)17(19(20)21-22)14-13-15-9-5-3-6-10-15/h2-12H,1H2,(H2,20,21).
What are the key properties of 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine?
1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine has a molecular weight of 285.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine is sourced from PubChem (CID 160797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).