2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide

C13H22ClN3O2 — CID 19584230

IUPAC2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCCC(C(=O)NCCCOC(C)C)n1cc(Cl)cn1
InChIInChI=1S/C13H22ClN3O2/c1-4-12(17-9-11(14)8-16-17)13(18)15-6-5-7-19-10(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,18)
InChIKeyBYTHPXRNTBFNBQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.42
Rot. Bonds8

About 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide

2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 19584230) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID19584230
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCCC(C(=O)NCCCOC(C)C)n1cc(Cl)cn1
InChIInChI=1S/C13H22ClN3O2/c1-4-12(17-9-11(14)8-16-17)13(18)15-6-5-7-19-10(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,18)
InChIKeyBYTHPXRNTBFNBQ-UHFFFAOYSA-N
XLogP2.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.42
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

2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
CID 19549369
2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837
(2R)-2-(4-chloropyrazol-1-yl)butanoate
CID 7017285
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19534153
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide
CID 19549343
N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19549344
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide (CID 19584230) is 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide is CCC(C(=O)NCCCOC(C)C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is BYTHPXRNTBFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-4-12(17-9-11(14)8-16-17)13(18)15-6-5-7-19-10(2)3/h8-10,12H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 287.79 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 19584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).