4-chloro-N-(1-ethylpyrazol-4-yl)butanamide

C9H14ClN3O — CID 63309396

IUPAC4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
SMILESCCn1cc(NC(=O)CCCCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13-7-8(6-11-13)12-9(14)4-3-5-10/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeySVXXPFPHEYCKMT-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.86
Rot. Bonds5

About 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide

4-chloro-N-(1-ethylpyrazol-4-yl)butanamide (PubChem CID 63309396) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
PubChem CID63309396
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
SMILESCCn1cc(NC(=O)CCCCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13-7-8(6-11-13)12-9(14)4-3-5-10/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeySVXXPFPHEYCKMT-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285076
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1-ethylpyrazol-4-yl)propanamide
CID 71688992
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide?
The IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide (CID 63309396) is 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide?
The canonical SMILES for 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide is CCn1cc(NC(=O)CCCCl)cn1.
What is the InChIKey of 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide?
The InChIKey is SVXXPFPHEYCKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-13-7-8(6-11-13)12-9(14)4-3-5-10/h6-7H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide?
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide has a molecular weight of 215.68 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 63309396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).