3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine

C14H24ClN3 — CID 113294661

IUPAC3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CCl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H24ClN3/c1-14(2,10-15)11-16-9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13,16H,3-6,9-11H2,1-2H3
InChIKeyLZORLSUHXYNIRW-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.35
Rot. Bonds6

About 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 113294661) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID113294661
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CCl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H24ClN3/c1-14(2,10-15)11-16-9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13,16H,3-6,9-11H2,1-2H3
InChIKeyLZORLSUHXYNIRW-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256545
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine (CID 113294661) is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(CCl)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is LZORLSUHXYNIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-14(2,10-15)11-16-9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13,16H,3-6,9-11H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine?
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 113294661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).