1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine

C16H30ClN3 — CID 105042639

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Cl)cnn1CCC
InChIInChI=1S/C16H30ClN3/c1-3-5-6-7-8-9-10-11-15(18)16-14(17)13-19-20(16)12-4-2/h13,15H,3-12,18H2,1-2H3
InChIKeyBPTQMQYZAQECIR-UHFFFAOYSA-N
MW299.89 g/mol
LogP5.09
Rot. Bonds11

About 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine (PubChem CID 105042639) has the molecular formula C16H30ClN3 and a molecular weight of 299.89 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
PubChem CID105042639
Molecular FormulaC16H30ClN3
Molecular Weight299.89 g/mol
Exact Mass299.21
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Cl)cnn1CCC
InChIInChI=1S/C16H30ClN3/c1-3-5-6-7-8-9-10-11-15(18)16-14(17)13-19-20(16)12-4-2/h13,15H,3-12,18H2,1-2H3
InChIKeyBPTQMQYZAQECIR-UHFFFAOYSA-N
XLogP5.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.89
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
1-(4-chloro-1-propylpyrazol-5-yl)hexylhydrazine
CID 105337103
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659610
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine (CID 105042639) is 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine is CCCCCCCCCC(N)c1c(Cl)cnn1CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine?
The InChIKey is BPTQMQYZAQECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClN3/c1-3-5-6-7-8-9-10-11-15(18)16-14(17)13-19-20(16)12-4-2/h13,15H,3-12,18H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine has a molecular weight of 299.89 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine is sourced from PubChem (CID 105042639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).