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

C8H15N3 — CID 6483889

IUPAC1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)N)n1
InChIInChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKeyFODFRQFRJYJPSO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.85
Rot. Bonds2

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

1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 6483889) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID6483889
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)N)n1
InChIInChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKeyFODFRQFRJYJPSO-UHFFFAOYSA-N
XLogP0.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(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
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
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
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 6483889) is 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(CC(C)N)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is FODFRQFRJYJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 6483889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).