1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine

C15H28ClN3O — CID 105054531

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1c(Cl)cnn1CCOC
InChIInChI=1S/C15H28ClN3O/c1-5-7-8-12(6-2)14(17-3)15-13(16)11-18-19(15)9-10-20-4/h11-12,14,17H,5-10H2,1-4H3
InChIKeyNAKXDRVXBJHCDZ-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.66
Rot. Bonds10

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine (PubChem CID 105054531) has the molecular formula C15H28ClN3O and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
PubChem CID105054531
Molecular FormulaC15H28ClN3O
Molecular Weight301.86 g/mol
Exact Mass301.19
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1c(Cl)cnn1CCOC
InChIInChI=1S/C15H28ClN3O/c1-5-7-8-12(6-2)14(17-3)15-13(16)11-18-19(15)9-10-20-4/h11-12,14,17H,5-10H2,1-4H3
InChIKeyNAKXDRVXBJHCDZ-UHFFFAOYSA-N
XLogP3.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-methylnonan-1-amine
CID 105054424
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 114661470
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-propylsulfanylethanamine
CID 114653578

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine (CID 105054531) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine?
The InChIKey is NAKXDRVXBJHCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O/c1-5-7-8-12(6-2)14(17-3)15-13(16)11-18-19(15)9-10-20-4/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 3.66, 10 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]-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 105054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).