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

C13H25N3 — CID 105126365

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cc(C)nn1C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-9-12(14-3)13-10-11(2)15-16(13)4/h10,12,14H,5-9H2,1-4H3
InChIKeyPPNDWLNHUKBYDY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.96
Rot. Bonds7

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

1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine (PubChem CID 105126365) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
PubChem CID105126365
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cc(C)nn1C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-9-12(14-3)13-10-11(2)15-16(13)4/h10,12,14H,5-9H2,1-4H3
InChIKeyPPNDWLNHUKBYDY-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.96
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-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
CID 105190294
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105157885
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine (CID 105126365) is 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine is CCCCCCC(NC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine?
The InChIKey is PPNDWLNHUKBYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-8-9-12(14-3)13-10-11(2)15-16(13)4/h10,12,14H,5-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.96, 7 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-methylheptan-1-amine is sourced from PubChem (CID 105126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).