2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

C13H22ClN3O2 — CID 19534153

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCCOC(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9(2)19-7-5-6-15-13(18)11(4)17-8-12(14)10(3)16-17/h8-9,11H,5-7H2,1-4H3,(H,15,18)
InChIKeyQZZYNGYXQGYACA-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.34
Rot. Bonds7

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 19534153) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID19534153
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCCOC(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O2/c1-9(2)19-7-5-6-15-13(18)11(4)17-8-12(14)10(3)16-17/h8-9,11H,5-7H2,1-4H3,(H,15,18)
InChIKeyQZZYNGYXQGYACA-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chloro-3-methylpyrazol-1-yl)propanoate
CID 7026082
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 19584230
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 19535918
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
dimethyl 5-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533937
1-[1-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624364
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19475507

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 19534153) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is Cc1nn(C(C)C(=O)NCCCOC(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is QZZYNGYXQGYACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9(2)19-7-5-6-15-13(18)11(4)17-8-12(14)10(3)16-17/h8-9,11H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 287.79 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 19534153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).