1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine

C15H28ClN3 — CID 105035167

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)C(C)CCC
InChIInChI=1S/C15H28ClN3/c1-6-8-11(3)14(17-9-7-2)10-13-12(4)18-19(5)15(13)16/h11,14,17H,6-10H2,1-5H3
InChIKeySNGTWPUOKQHSMC-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.73
Rot. Bonds8

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine (PubChem CID 105035167) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine
PubChem CID105035167
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)C(C)CCC
InChIInChI=1S/C15H28ClN3/c1-6-8-11(3)14(17-9-7-2)10-13-12(4)18-19(5)15(13)16/h11,14,17H,6-10H2,1-5H3
InChIKeySNGTWPUOKQHSMC-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-N-propylhexan-2-amine
CID 104996853
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116716017
4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylbutan-1-amine
CID 113470792
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928661
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-N-methylpentan-2-amine
CID 105035069
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105180346
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105180389
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631474
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113470414
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 113470284
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine (CID 105035167) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine is CCCNC(Cc1c(C)nn(C)c1Cl)C(C)CCC.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine?
The InChIKey is SNGTWPUOKQHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-6-8-11(3)14(17-9-7-2)10-13-12(4)18-19(5)15(13)16/h11,14,17H,6-10H2,1-5H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine has a molecular weight of 285.86 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 105035167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).