1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine

C17H33N3 — CID 104996074

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(C)nn1C)NCCC
InChIInChI=1S/C17H33N3/c1-6-9-10-15(8-3)17(18-11-7-2)13-16-12-14(4)19-20(16)5/h12,15,17-18H,6-11,13H2,1-5H3
InChIKeyZTXSVCNKXXQKIZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.86
Rot. Bonds10

About 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine (PubChem CID 104996074) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
PubChem CID104996074
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(C)nn1C)NCCC
InChIInChI=1S/C17H33N3/c1-6-9-10-15(8-3)17(18-11-7-2)13-16-12-14(4)19-20(16)5/h12,15,17-18H,6-11,13H2,1-5H3
InChIKeyZTXSVCNKXXQKIZ-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222898

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine (CID 104996074) is 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine is CCCCC(CC)C(Cc1cc(C)nn1C)NCCC.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine?
The InChIKey is ZTXSVCNKXXQKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-9-10-15(8-3)17(18-11-7-2)13-16-12-14(4)19-20(16)5/h12,15,17-18H,6-11,13H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine is sourced from PubChem (CID 104996074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).