1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine

C16H30ClN3O — CID 105054591

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C16H30ClN3O/c1-3-4-5-6-7-8-9-10-15(18)16-14(17)13-19-20(16)11-12-21-2/h13,15H,3-12,18H2,1-2H3
InChIKeyNVHYMIVWQKMDFO-UHFFFAOYSA-N
MW315.89 g/mol
LogP4.32
Rot. Bonds12

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine (PubChem CID 105054591) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
PubChem CID105054591
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C16H30ClN3O/c1-3-4-5-6-7-8-9-10-15(18)16-14(17)13-19-20(16)11-12-21-2/h13,15H,3-12,18H2,1-2H3
InChIKeyNVHYMIVWQKMDFO-UHFFFAOYSA-N
XLogP4.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxypentan-1-amine
CID 114661136
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105054531
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylhexan-1-amine
CID 105054530
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(3-methylphenyl)propan-1-amine
CID 105190068

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine (CID 105054591) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine is CCCCCCCCCC(N)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine?
The InChIKey is NVHYMIVWQKMDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClN3O/c1-3-4-5-6-7-8-9-10-15(18)16-14(17)13-19-20(16)11-12-21-2/h13,15H,3-12,18H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine has a molecular weight of 315.89 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine is sourced from PubChem (CID 105054591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).