2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide

C12H20ClN3O2 — CID 19549369

IUPAC2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1cc(Cl)cn1
InChIInChI=1S/C12H20ClN3O2/c1-3-11(16-9-10(13)8-15-16)12(17)14-6-5-7-18-4-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)
InChIKeyXTSKRVANGYJUIJ-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.03
Rot. Bonds8

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

2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide (PubChem CID 19549369) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
PubChem CID19549369
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1cc(Cl)cn1
InChIInChI=1S/C12H20ClN3O2/c1-3-11(16-9-10(13)8-15-16)12(17)14-6-5-7-18-4-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)
InChIKeyXTSKRVANGYJUIJ-UHFFFAOYSA-N
XLogP2.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.03
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-propan-2-yloxypropyl)butanamide
CID 19584230
2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
(2R)-2-(4-chloropyrazol-1-yl)butanoate
CID 7017285
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19549284
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide (CID 19549369) is 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide is CCOCCCNC(=O)C(CC)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide?
The InChIKey is XTSKRVANGYJUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-3-11(16-9-10(13)8-15-16)12(17)14-6-5-7-18-4-2/h8-9,11H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide?
2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide has a molecular weight of 273.76 g/mol, XLogP of 2.03, 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-ethoxypropyl)butanamide is sourced from PubChem (CID 19549369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).