1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone

C11H15BrN2O3 — CID 103543836

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CC1OCCO1
InChIInChI=1S/C11H15BrN2O3/c1-2-3-14-11(8(12)7-13-14)9(15)6-10-16-4-5-17-10/h7,10H,2-6H2,1H3
InChIKeyNDRWXTKIVQZECE-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone

1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 103543836) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID103543836
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CC1OCCO1
InChIInChI=1S/C11H15BrN2O3/c1-2-3-14-11(8(12)7-13-14)9(15)6-10-16-4-5-17-10/h7,10H,2-6H2,1H3
InChIKeyNDRWXTKIVQZECE-UHFFFAOYSA-N
XLogP2.00
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone 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

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543833
1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 114642345
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
CID 114668844
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114670083
(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methanone
CID 115804474
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114638949
3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
CID 114671080
1-(4-bromo-1-propylpyrazol-5-yl)-2-(prop-2-enylamino)ethanone
CID 114670151

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone (CID 103543836) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone is CCCn1ncc(Br)c1C(=O)CC1OCCO1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is NDRWXTKIVQZECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-2-3-14-11(8(12)7-13-14)9(15)6-10-16-4-5-17-10/h7,10H,2-6H2,1H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 303.16 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 103543836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).