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

C14H27N3 — CID 105125896

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1cc(C)nn1C
InChIInChI=1S/C14H27N3/c1-5-7-8-9-10-13(15-6-2)14-11-12(3)16-17(14)4/h11,13,15H,5-10H2,1-4H3
InChIKeyPSPKDEMFBHYCJN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.35
Rot. Bonds8

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

1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine (PubChem CID 105125896) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
PubChem CID105125896
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1cc(C)nn1C
InChIInChI=1S/C14H27N3/c1-5-7-8-9-10-13(15-6-2)14-11-12(3)16-17(14)4/h11,13,15H,5-10H2,1-4H3
InChIKeyPSPKDEMFBHYCJN-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893826
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(2,5-dimethylpyrazol-3-yl)-N-ethylpent-3-yn-1-amine
CID 105112063
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine (CID 105125896) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine?
The InChIKey is PSPKDEMFBHYCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-8-9-10-13(15-6-2)14-11-12(3)16-17(14)4/h11,13,15H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.35, 8 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)-N-ethylheptan-1-amine is sourced from PubChem (CID 105125896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).