3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

C17H20N2O — CID 103007449

IUPAC3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCn1nccc1CCC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H20N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyVMTFXJSAJFDDCZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (PubChem CID 103007449) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
PubChem CID103007449
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCn1nccc1CCC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H20N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyVMTFXJSAJFDDCZ-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-yn-1-one
CID 63247450
3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
CID 103023936
2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 126831975
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
2-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 63247062
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 65167319
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (CID 103007449) is 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is Cn1nccc1CCC(=O)C1CCCc2ccccc21.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The InChIKey is VMTFXJSAJFDDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 103007449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).