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

C16H28ClN3 — CID 106286304

IUPAC2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H28ClN3/c1-3-13(4-2)16(17)12-18-11-14-9-10-20(19-14)15-7-5-6-8-15/h9-10,13,15-16,18H,3-8,11-12H2,1-2H3
InChIKeyYVWLVTDFUMLYDP-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.13
Rot. Bonds8

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

2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine (PubChem CID 106286304) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
PubChem CID106286304
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H28ClN3/c1-3-13(4-2)16(17)12-18-11-14-9-10-20(19-14)15-7-5-6-8-15/h9-10,13,15-16,18H,3-8,11-12H2,1-2H3
InChIKeyYVWLVTDFUMLYDP-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.13
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

methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine?
The IUPAC name of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine (CID 106286304) is 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine is CCC(CC)C(Cl)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine?
The InChIKey is YVWLVTDFUMLYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-3-13(4-2)16(17)12-18-11-14-9-10-20(19-14)15-7-5-6-8-15/h9-10,13,15-16,18H,3-8,11-12H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine?
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.13, 8 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]-3-ethylpentan-1-amine is sourced from PubChem (CID 106286304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).