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

C15H29N3 — CID 102804362

IUPAC1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cn(C)nc1C
InChIInChI=1S/C15H29N3/c1-6-10-16-15(9-7-8-12(2)3)14-11-18(5)17-13(14)4/h11-12,15-16H,6-10H2,1-5H3
InChIKeyGVXBFNAGJYLUHP-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.60
Rot. Bonds8

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

1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine (PubChem CID 102804362) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
PubChem CID102804362
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cn(C)nc1C
InChIInChI=1S/C15H29N3/c1-6-10-16-15(9-7-8-12(2)3)14-11-18(5)17-13(14)4/h11-12,15-16H,6-10H2,1-5H3
InChIKeyGVXBFNAGJYLUHP-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
1-(1,3-dimethylpyrazol-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 102803115
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357
1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 102803909
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
1-(1,3-dimethylpyrazol-4-yl)decylhydrazine
CID 102804828
N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102804658
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine (CID 102804362) is 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is GVXBFNAGJYLUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-10-16-15(9-7-8-12(2)3)14-11-18(5)17-13(14)4/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 102804362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).