2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide

C9H14ClN3O — CID 146086063

IUPAC2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
SMILESO=C(CCl)NCCCCc1cn[nH]c1
InChIInChI=1S/C9H14ClN3O/c10-5-9(14)11-4-2-1-3-8-6-12-13-7-8/h6-7H,1-5H2,(H,11,14)(H,12,13)
InChIKeyVEHQIHHBALPNOL-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.09
Rot. Bonds6

About 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide

2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide (PubChem CID 146086063) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
PubChem CID146086063
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
SMILESO=C(CCl)NCCCCc1cn[nH]c1
InChIInChI=1S/C9H14ClN3O/c10-5-9(14)11-4-2-1-3-8-6-12-13-7-8/h6-7H,1-5H2,(H,11,14)(H,12,13)
InChIKeyVEHQIHHBALPNOL-UHFFFAOYSA-N
XLogP1.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 51596536
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
(Z)-3-cyclopropyl-2-fluoro-N-[3-(1H-pyrazol-4-yl)propyl]but-2-enamide
CID 138013209
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
3-(1H-pyrazol-4-yl)propylazanium
CID 7875888
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
1-methyl-2-[2-(1H-pyrazol-4-yl)ethyl]hydrazine
CID 144949085
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide (CID 146086063) is 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide is O=C(CCl)NCCCCc1cn[nH]c1.
What is the InChIKey of 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide?
The InChIKey is VEHQIHHBALPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-5-9(14)11-4-2-1-3-8-6-12-13-7-8/h6-7H,1-5H2,(H,11,14)(H,12,13).
What are the key properties of 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide?
2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide has a molecular weight of 215.68 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide is sourced from PubChem (CID 146086063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).