3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine

C10H18ClN3 — CID 115363430

IUPAC3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCC(C)(CCl)CNCCn1cccn1
InChIInChI=1S/C10H18ClN3/c1-10(2,8-11)9-12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-9H2,1-2H3
InChIKeyZGYQXTAGUFGIHM-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.74
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine

3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine (PubChem CID 115363430) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
PubChem CID115363430
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCC(C)(CCl)CNCCn1cccn1
InChIInChI=1S/C10H18ClN3/c1-10(2,8-11)9-12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-9H2,1-2H3
InChIKeyZGYQXTAGUFGIHM-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-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-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)butan-1-amine
CID 106139974
3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 65030085
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-pyrazol-1-ylethanamine
CID 115363274
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine (CID 115363430) is 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine is CC(C)(CCl)CNCCn1cccn1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The InChIKey is ZGYQXTAGUFGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-10(2,8-11)9-12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-9H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine?
3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propan-1-amine is sourced from PubChem (CID 115363430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).