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

C15H24ClN3 — CID 114631935

IUPAC3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-15(2)13(16)9-14(15)17-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-8,12-14,17H,3-6,9-10H2,1-2H3
InChIKeyBRTJVJZXXMBQNL-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.49
Rot. Bonds4

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

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114631935) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114631935
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-15(2)13(16)9-14(15)17-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-8,12-14,17H,3-6,9-10H2,1-2H3
InChIKeyBRTJVJZXXMBQNL-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.49
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-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 114631935) is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine is CC1(C)C(Cl)CC1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is BRTJVJZXXMBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-15(2)13(16)9-14(15)17-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-8,12-14,17H,3-6,9-10H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.49, 4 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-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114631935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).