3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

C8H15N3 — CID 2056783

IUPAC3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCN)n1
InChIInChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyAFJVVHQSOQPLOC-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.85
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 2056783) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID2056783
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCN)n1
InChIInChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyAFJVVHQSOQPLOC-UHFFFAOYSA-N
XLogP0.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
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-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 2056783) is 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(CCCN)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is AFJVVHQSOQPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 2056783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).