N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine

C14H24ClN3 — CID 113470802

IUPACN-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H24ClN3/c1-4-16-9-12-7-5-6-11(12)8-13-10(2)17-18(3)14(13)15/h11-12,16H,4-9H2,1-3H3
InChIKeySIHJYEULYJAKEJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine

N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 113470802) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID113470802
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H24ClN3/c1-4-16-9-12-7-5-6-11(12)8-13-10(2)17-18(3)14(13)15/h11-12,16H,4-9H2,1-3H3
InChIKeySIHJYEULYJAKEJ-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine with MolForge

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107190783
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
CID 106469534
5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
CID 60796738
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 81028702
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 113470527
N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024685
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine (CID 113470802) is N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1c(C)nn(C)c1Cl.
What is the InChIKey of N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is SIHJYEULYJAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-4-16-9-12-7-5-6-11(12)8-13-10(2)17-18(3)14(13)15/h11-12,16H,4-9H2,1-3H3.
What are the key properties of N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine?
N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 269.82 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 113470802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).