4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen

C17H20N2 — CID 144664765

IUPAC4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;1-2;/h1-11H,(H,16,17);1-2H3;1H
InChIKeyDXCQIRWBIAYPIS-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.02
Rot. Bonds2

About 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen

4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen (PubChem CID 144664765) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
PubChem CID144664765
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;1-2;/h1-11H,(H,16,17);1-2H3;1H
InChIKeyDXCQIRWBIAYPIS-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
methane;5-phenyl-1H-pyrazole-4-thiol
CID 143880093
3-[4-(4-aminophenyl)-1H-pyrazol-5-yl]aniline
CID 73335185
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
1-(4-methylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
CID 2729163
iridium(3+);tris(4-phenyl-1H-pyrazole-5-carboxylate)
CID 158208821
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
CID 154878944
4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
CID 39222259

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen?
The IUPAC name of 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen (CID 144664765) is 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen.
What is the SMILES notation for 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen?
The canonical SMILES for 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen is CC.[H][H].c1ccc(-c2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen?
The InChIKey is DXCQIRWBIAYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13;1-2;/h1-11H,(H,16,17);1-2H3;1H.
What are the key properties of 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen?
4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen has a molecular weight of 252.36 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen is sourced from PubChem (CID 144664765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).