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

C15H24ClN3 — CID 65025723

IUPAC2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESClC1CCCCC1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c16-14-7-3-4-8-15(14)17-11-12-9-10-19(18-12)13-5-1-2-6-13/h9-10,13-15,17H,1-8,11H2
InChIKeyGDEFTAAXEVGARD-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.64
Rot. Bonds4

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

2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 65025723) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID65025723
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESClC1CCCCC1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24ClN3/c16-14-7-3-4-8-15(14)17-11-12-9-10-19(18-12)13-5-1-2-6-13/h9-10,13-15,17H,1-8,11H2
InChIKeyGDEFTAAXEVGARD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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-methylcyclohexan-1-amine
CID 64800246
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720674
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167874914
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 64799368
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 65025723) is 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine is ClC1CCCCC1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is GDEFTAAXEVGARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c16-14-7-3-4-8-15(14)17-11-12-9-10-19(18-12)13-5-1-2-6-13/h9-10,13-15,17H,1-8,11H2.
What are the key properties of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine?
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65025723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).