(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone

C13H18N2O2 — CID 178168560

IUPAC(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESC=C(C)c1c(C(=O)C2(CO)CC2)nn(C)c1C
InChIInChI=1S/C13H18N2O2/c1-8(2)10-9(3)15(4)14-11(10)12(17)13(7-16)5-6-13/h16H,1,5-7H2,2-4H3
InChIKeyUGCVEOZSYUKWKA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds4

About (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone

(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone (PubChem CID 178168560) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
PubChem CID178168560
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESC=C(C)c1c(C(=O)C2(CO)CC2)nn(C)c1C
InChIInChI=1S/C13H18N2O2/c1-8(2)10-9(3)15(4)14-11(10)12(17)13(7-16)5-6-13/h16H,1,5-7H2,2-4H3
InChIKeyUGCVEOZSYUKWKA-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[4-(2-Hydroxyethyl)-1,5-dimethyl-3-pyrazolyl]-2,2-dimethyl-1-propanone
CID 171065732
1-Bicyclo[1.1.1]pentanyl-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]methanone
CID 178046440
[4-(2-Hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone
CID 178046566
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 (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The IUPAC name of (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone (CID 178168560) is (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone.
What is the SMILES notation for (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The canonical SMILES for (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone is C=C(C)c1c(C(=O)C2(CO)CC2)nn(C)c1C.
What is the InChIKey of (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The InChIKey is UGCVEOZSYUKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)10-9(3)15(4)14-11(10)12(17)13(7-16)5-6-13/h16H,1,5-7H2,2-4H3.
What are the key properties of (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
(1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-4-prop-1-en-2-ylpyrazol-3-yl)-[1-(hydroxymethyl)cyclopropyl]methanone is sourced from PubChem (CID 178168560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).