3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

C10H18ClN3 — CID 82872132

IUPAC3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCn1ccc(CNCC(C)(C)CCl)n1
InChIInChI=1S/C10H18ClN3/c1-10(2,7-11)8-12-6-9-4-5-14(3)13-9/h4-5,12H,6-8H2,1-3H3
InChIKeyASQMTFREEQCFFX-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.77
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 82872132) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID82872132
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCn1ccc(CNCC(C)(C)CCl)n1
InChIInChI=1S/C10H18ClN3/c1-10(2,7-11)8-12-6-9-4-5-14(3)13-9/h4-5,12H,6-8H2,1-3H3
InChIKeyASQMTFREEQCFFX-UHFFFAOYSA-N
XLogP1.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]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

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 115656668
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
4-chloro-2,2-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 114148926
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
CID 82881591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 82872132) is 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is Cn1ccc(CNCC(C)(C)CCl)n1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is ASQMTFREEQCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-10(2,7-11)8-12-6-9-4-5-14(3)13-9/h4-5,12H,6-8H2,1-3H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 1.77, 5 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-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 82872132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).