1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine

C15H28ClN3 — CID 105042462

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1c(Cl)cnn1CCC
InChIInChI=1S/C15H28ClN3/c1-5-8-12(9-6-2)14(17-4)15-13(16)11-18-19(15)10-7-3/h11-12,14,17H,5-10H2,1-4H3
InChIKeyZHCIAGYYBHJLFL-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.42
Rot. Bonds9

About 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine (PubChem CID 105042462) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
PubChem CID105042462
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1c(Cl)cnn1CCC
InChIInChI=1S/C15H28ClN3/c1-5-8-12(9-6-2)14(17-4)15-13(16)11-18-19(15)10-7-3/h11-12,14,17H,5-10H2,1-4H3
InChIKeyZHCIAGYYBHJLFL-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105054531
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114660695
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649703
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656630
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine (CID 105042462) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1c(Cl)cnn1CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is ZHCIAGYYBHJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-5-8-12(9-6-2)14(17-4)15-13(16)11-18-19(15)10-7-3/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 285.86 g/mol, XLogP of 4.42, 9 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)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 105042462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).