5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine

C11H18ClN3 — CID 79592250

IUPAC5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCc1nn(C)c(CC=CCCN)c1Cl
InChIInChI=1S/C11H18ClN3/c1-3-9-11(12)10(15(2)14-9)7-5-4-6-8-13/h4-5H,3,6-8,13H2,1-2H3
InChIKeyGVRQGBVJQJCSET-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.08
Rot. Bonds5

About 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine

5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine (PubChem CID 79592250) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine
PubChem CID79592250
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCc1nn(C)c(CC=CCCN)c1Cl
InChIInChI=1S/C11H18ClN3/c1-3-9-11(12)10(15(2)14-9)7-5-4-6-8-13/h4-5H,3,6-8,13H2,1-2H3
InChIKeyGVRQGBVJQJCSET-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine 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-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
4-chloro-5-(5-chloropent-2-enyl)-1,3-dimethylpyrazole
CID 79603940
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66037920
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103344
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-2-yl]methanamine
CID 83174569
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79661884
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-hydroxy-2-methylpropanal
CID 66037669

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine (CID 79592250) is 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine is CCc1nn(C)c(CC=CCCN)c1Cl.
What is the InChIKey of 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The InChIKey is GVRQGBVJQJCSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-9-11(12)10(15(2)14-9)7-5-4-6-8-13/h4-5H,3,6-8,13H2,1-2H3.
What are the key properties of 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine?
5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 79592250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).