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

C14H14ClN3O3 — CID 19538420

IUPAC2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)n1cc(Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(18-8-10(15)7-16-18)14(19)17-11-2-3-12-13(6-11)21-5-4-20-12/h2-3,6-9H,4-5H2,1H3,(H,17,19)
InChIKeyMBPWQNNVUJGBPF-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.51
Rot. Bonds3

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

2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 19538420) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID19538420
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)n1cc(Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(18-8-10(15)7-16-18)14(19)17-11-2-3-12-13(6-11)21-5-4-20-12/h2-3,6-9H,4-5H2,1H3,(H,17,19)
InChIKeyMBPWQNNVUJGBPF-UHFFFAOYSA-N
XLogP2.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 28935072
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3119946
(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 97204369
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
CID 175033378
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 55989119
(2S)-2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 40793024
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 19538420) is 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)OCCO2)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is MBPWQNNVUJGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9(18-8-10(15)7-16-18)14(19)17-11-2-3-12-13(6-11)21-5-4-20-12/h2-3,6-9H,4-5H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
2-(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 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 19538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).