3-hexan-2-yl-1,4-dimethylpyrazol-5-amine

C11H21N3 — CID 165492413

IUPAC3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
SMILESCCCCC(C)c1nn(C)c(N)c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-8(2)10-9(3)11(12)14(4)13-10/h8H,5-7,12H2,1-4H3
InChIKeyYLZPZNKHOPMZDR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds4

About 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine

3-hexan-2-yl-1,4-dimethylpyrazol-5-amine (PubChem CID 165492413) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
PubChem CID165492413
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
SMILESCCCCC(C)c1nn(C)c(N)c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-8(2)10-9(3)11(12)14(4)13-10/h8H,5-7,12H2,1-4H3
InChIKeyYLZPZNKHOPMZDR-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
CID 79405405
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine
CID 82985352
3,5-di(butan-2-yl)-1,4-dimethylpyrazole;propane
CID 144532911
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336687
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine
CID 62226709
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
CID 177061594
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
CID 43336628
1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
CID 83530248
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072

Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine (CID 165492413) is 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine is CCCCC(C)c1nn(C)c(N)c1C.
What is the InChIKey of 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine?
The InChIKey is YLZPZNKHOPMZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-8(2)10-9(3)11(12)14(4)13-10/h8H,5-7,12H2,1-4H3.
What are the key properties of 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine?
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 165492413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).