1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine

C12H23N3 — CID 105126222

IUPAC1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(C)nn1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(13)12-9-10(2)14-15(12)3/h9,11H,4-8,13H2,1-3H3
InChIKeyZMUNHODMIFCRBG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.70
Rot. Bonds6

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

1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine (PubChem CID 105126222) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
PubChem CID105126222
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(C)nn1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(13)12-9-10(2)14-15(12)3/h9,11H,4-8,13H2,1-3H3
InChIKeyZMUNHODMIFCRBG-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.70
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-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
pentane;1,3,5-trimethylpyrazole
CID 143472504
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine (CID 105126222) is 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine is CCCCCCC(N)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine?
The InChIKey is ZMUNHODMIFCRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-11(13)12-9-10(2)14-15(12)3/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.70, 6 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)heptan-1-amine is sourced from PubChem (CID 105126222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).