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

C9H17N3 — CID 19616567

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)n(CC(C)CN)n1
InChIInChI=1S/C9H17N3/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4,7H,5-6,10H2,1-3H3
InChIKeyGWBNJWRTQWHBAR-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.09
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine (PubChem CID 19616567) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
PubChem CID19616567
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)n(CC(C)CN)n1
InChIInChI=1S/C9H17N3/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4,7H,5-6,10H2,1-3H3
InChIKeyGWBNJWRTQWHBAR-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.09
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-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
(1,5-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
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740
N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-1-ethanamine
CID 361753
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine (CID 19616567) is 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine is Cc1cc(C)n(CC(C)CN)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The InChIKey is GWBNJWRTQWHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4,7H,5-6,10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.09, 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)-2-methylpropan-1-amine is sourced from PubChem (CID 19616567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).