(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C16H21N3O — CID 155393270

IUPAC(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCN1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-18-11-8-14(9-12-18)16(20)19-15(7-10-17-19)13-5-3-2-4-6-13/h2-6,10,14-15H,7-9,11-12H2,1H3
InChIKeyOKWCYSLFQVMVIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.29
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 155393270) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID155393270
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCN1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-18-11-8-14(9-12-18)16(20)19-15(7-10-17-19)13-5-3-2-4-6-13/h2-6,10,14-15H,7-9,11-12H2,1H3
InChIKeyOKWCYSLFQVMVIB-UHFFFAOYSA-N
XLogP2.29
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 155393270) is (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is CN1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is OKWCYSLFQVMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-11-8-14(9-12-18)16(20)19-15(7-10-17-19)13-5-3-2-4-6-13/h2-6,10,14-15H,7-9,11-12H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
(1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 155393270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).