2-(3,5-dimethylpyrazol-1-yl)ethanamine

C7H13N3 — CID 1091687

IUPAC2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CCN)n1
InChIInChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3
InChIKeyFXLOXQBWUPCCDL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.46
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)ethanamine

2-(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 1091687) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID1091687
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CCN)n1
InChIInChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3
InChIKeyFXLOXQBWUPCCDL-UHFFFAOYSA-N
XLogP0.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
1,3,5-trimethyl-1H-pyrazol-4-amine
CID 161603
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
1-Allyl-3,5-dimethylpyrazole
CID 25930
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
1-methyl-3-((methylamino)methyl)-1h-pyrazole-5-carbonitrile hydrochloride salt
CID 138106110
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethanamine (CID 1091687) is 2-(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(CCN)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is FXLOXQBWUPCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)ethanamine?
2-(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 1091687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).