[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone

C13H20N2O2 — CID 178046566

IUPAC[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone
SMILESCc1c(CCO)c(C(=O)C2(C)CCC2)nn1C
InChIInChI=1S/C13H20N2O2/c1-9-10(5-8-16)11(14-15(9)3)12(17)13(2)6-4-7-13/h16H,4-8H2,1-3H3
InChIKeyDNMWGLCGNSPBTG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.64
Rot. Bonds4

About [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone

[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone (PubChem CID 178046566) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone
PubChem CID178046566
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone
SMILESCc1c(CCO)c(C(=O)C2(C)CCC2)nn1C
InChIInChI=1S/C13H20N2O2/c1-9-10(5-8-16)11(14-15(9)3)12(17)13(2)6-4-7-13/h16H,4-8H2,1-3H3
InChIKeyDNMWGLCGNSPBTG-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone 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

3,3,3-Trifluoro-1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-one
CID 178046623
3-Fluoro-1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-one
CID 178046633
2-Hydroxy-1-(2,4,5-trimethylpyrazol-3-yl)ethanone
CID 67701295
3-(Hydroxymethyl)-1,5,5-trimethyl-4,6-dihydroindazol-7-one
CID 71103888
1-[4-(2-Hydroxyethyl)-1,5-dimethyl-3-pyrazolyl]-2,2-dimethyl-1-propanone
CID 171065732
1-[4-(2-Hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone
CID 176752245
1-Bicyclo[1.1.1]pentanyl-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]methanone
CID 178046440
1-[3-(2-hydroxyethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 178046611
(1,5-Dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 178168560
Ethane;(3-hydroxycyclobutyl)-(1,4,5-trimethylpyrazol-3-yl)methanone
CID 178168732
(3-Hydroxycyclobutyl)-(1,4,5-trimethylpyrazol-3-yl)methanone
CID 178168733

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone (CID 178046566) is [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone is Cc1c(CCO)c(C(=O)C2(C)CCC2)nn1C.
What is the InChIKey of [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone?
The InChIKey is DNMWGLCGNSPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-10(5-8-16)11(14-15(9)3)12(17)13(2)6-4-7-13/h16H,4-8H2,1-3H3.
What are the key properties of [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone?
[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone is sourced from PubChem (CID 178046566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).