3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine

C13H21N5 — CID 83222656

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(CCC(C)C)cc1N
InChIInChI=1S/C13H21N5/c1-9(2)5-6-18-8-12(14)13(16-18)11-7-17(4)15-10(11)3/h7-9H,5-6,14H2,1-4H3
InChIKeyBLHZSDSTYMZVOX-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.22
Rot. Bonds4

About 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine

3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine (PubChem CID 83222656) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine
PubChem CID83222656
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(CCC(C)C)cc1N
InChIInChI=1S/C13H21N5/c1-9(2)5-6-18-8-12(14)13(16-18)11-7-17(4)15-10(11)3/h7-9H,5-6,14H2,1-4H3
InChIKeyBLHZSDSTYMZVOX-UHFFFAOYSA-N
XLogP2.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-1-ethylpyrazol-4-amine
CID 19621294
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414870
1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
CID 83222729
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
CID 83222881
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-propan-2-ylpyrazol-5-amine
CID 102801702
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
CID 174781515
3-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyphenyl)pyrazol-4-amine
CID 83208395
2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 83094220
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 83204357

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine (CID 83222656) is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine is Cc1nn(C)cc1-c1nn(CCC(C)C)cc1N.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine?
The InChIKey is BLHZSDSTYMZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)5-6-18-8-12(14)13(16-18)11-7-17(4)15-10(11)3/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine?
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine is sourced from PubChem (CID 83222656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).