3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine

C11H20ClN3 — CID 65030085

IUPAC3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCCn1cccn1
InChIInChI=1S/C11H20ClN3/c1-3-11(4-2,10-12)13-7-9-15-8-5-6-14-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyPENNRSLDZXDECL-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.27
Rot. Bonds7

About 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine

3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine (PubChem CID 65030085) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
PubChem CID65030085
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCCn1cccn1
InChIInChI=1S/C11H20ClN3/c1-3-11(4-2,10-12)13-7-9-15-8-5-6-14-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyPENNRSLDZXDECL-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-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

3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 115363430
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
4-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
CID 106139974
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
N-ethoxy-2-pyrazol-1-ylethanamine
CID 62067950
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine (CID 65030085) is 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine is CCC(CC)(CCl)NCCn1cccn1.
What is the InChIKey of 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
The InChIKey is PENNRSLDZXDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-3-11(4-2,10-12)13-7-9-15-8-5-6-14-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine?
3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine has a molecular weight of 229.75 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine is sourced from PubChem (CID 65030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).