3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C14H14ClN3O3 — CID 19542024

IUPAC3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14ClN3O3/c15-10-8-16-18(9-10)4-3-14(19)17-11-1-2-12-13(7-11)21-6-5-20-12/h1-2,7-9H,3-6H2,(H,17,19)
InChIKeyGIRNXOMKSKSAHT-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.34
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 19542024) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID19542024
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14ClN3O3/c15-10-8-16-18(9-10)4-3-14(19)17-11-1-2-12-13(7-11)21-6-5-20-12/h1-2,7-9H,3-6H2,(H,17,19)
InChIKeyGIRNXOMKSKSAHT-UHFFFAOYSA-N
XLogP2.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 19542024) is 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is O=C(CCn1cc(Cl)cn1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is GIRNXOMKSKSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-10-8-16-18(9-10)4-3-14(19)17-11-1-2-12-13(7-11)21-6-5-20-12/h1-2,7-9H,3-6H2,(H,17,19).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 307.74 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 19542024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).