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

C13H25N3 — CID 107893826

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)nn1C
InChIInChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-11(4)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyXIKJJYYCRDCGTJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds6

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

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 107893826) 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-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
PubChem CID107893826
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)nn1C
InChIInChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-11(4)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeyXIKJJYYCRDCGTJ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105177590
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2,5-dimethylpyrazol-3-yl)-N-ethylpent-3-yn-1-amine
CID 105112063
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine (CID 107893826) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is XIKJJYYCRDCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-11(4)15-16(12)5/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 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)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 107893826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).