1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one

C13H18N2O — CID 103024286

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-15-12(4-5-14-15)2-3-13(16)11-7-9-6-10(9)8-11/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyBEPMMWCNZCTTOT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103024286) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103024286
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-15-12(4-5-14-15)2-3-13(16)11-7-9-6-10(9)8-11/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyBEPMMWCNZCTTOT-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
CID 103023936
3-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 103005116
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007359

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103024286) is 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is BEPMMWCNZCTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-12(4-5-14-15)2-3-13(16)11-7-9-6-10(9)8-11/h4-5,9-11H,2-3,6-8H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103024286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).