2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile

C18H17N3 — CID 3544811

IUPAC2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile
SMILESCC1=NN(C(C#N)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H17N3/c1-14-12-17(15-8-4-2-5-9-15)21(20-14)18(13-19)16-10-6-3-7-11-16/h2-11,17-18H,12H2,1H3
InChIKeyHGBQDGFEQHUTSS-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.07
Rot. Bonds3

About 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile

2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile (PubChem CID 3544811) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile
PubChem CID3544811
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile
SMILESCC1=NN(C(C#N)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H17N3/c1-14-12-17(15-8-4-2-5-9-15)21(20-14)18(13-19)16-10-6-3-7-11-16/h2-11,17-18H,12H2,1H3
InChIKeyHGBQDGFEQHUTSS-UHFFFAOYSA-N
XLogP4.07
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile (CID 3544811) is 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile is CC1=NN(C(C#N)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile?
The InChIKey is HGBQDGFEQHUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-12-17(15-8-4-2-5-9-15)21(20-14)18(13-19)16-10-6-3-7-11-16/h2-11,17-18H,12H2,1H3.
What are the key properties of 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile?
2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile has a molecular weight of 275.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylacetonitrile is sourced from PubChem (CID 3544811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).