(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone

C16H15N3O — CID 22605816

IUPAC(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)=N2)cn1
InChIInChI=1S/C16H15N3O/c1-12-7-8-14(11-17-12)16(20)19-10-9-15(18-19)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyWJOAJSLMSPCFGG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.64
Rot. Bonds2

About (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone

(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 22605816) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID22605816
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)=N2)cn1
InChIInChI=1S/C16H15N3O/c1-12-7-8-14(11-17-12)16(20)19-10-9-15(18-19)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyWJOAJSLMSPCFGG-UHFFFAOYSA-N
XLogP2.64
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 22605816) is (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone is Cc1ccc(C(=O)N2CCC(c3ccccc3)=N2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is WJOAJSLMSPCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-7-8-14(11-17-12)16(20)19-10-9-15(18-19)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone?
(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 22605816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).