5-heptan-4-yl-1,3-dimethylpyrazole

C12H22N2 — CID 143472478

IUPAC5-heptan-4-yl-1,3-dimethylpyrazole
SMILESCCCC(CCC)c1cc(C)nn1C
InChIInChI=1S/C12H22N2/c1-5-7-11(8-6-2)12-9-10(3)13-14(12)4/h9,11H,5-8H2,1-4H3
InChIKeyMZNFKLCJDCSUEH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds5

About 5-heptan-4-yl-1,3-dimethylpyrazole

5-heptan-4-yl-1,3-dimethylpyrazole (PubChem CID 143472478) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-heptan-4-yl-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-heptan-4-yl-1,3-dimethylpyrazole
PubChem CID143472478
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-heptan-4-yl-1,3-dimethylpyrazole
SMILESCCCC(CCC)c1cc(C)nn1C
InChIInChI=1S/C12H22N2/c1-5-7-11(8-6-2)12-9-10(3)13-14(12)4/h9,11H,5-8H2,1-4H3
InChIKeyMZNFKLCJDCSUEH-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893826
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1-methyl-5-nonan-4-yl-3-propan-2-ylpyrazole
CID 143471684
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
pentane;1,3,5-trimethylpyrazole
CID 143472504
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404

Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-1,3-dimethylpyrazole?
The IUPAC name of 5-heptan-4-yl-1,3-dimethylpyrazole (CID 143472478) is 5-heptan-4-yl-1,3-dimethylpyrazole.
What is the SMILES notation for 5-heptan-4-yl-1,3-dimethylpyrazole?
The canonical SMILES for 5-heptan-4-yl-1,3-dimethylpyrazole is CCCC(CCC)c1cc(C)nn1C.
What is the InChIKey of 5-heptan-4-yl-1,3-dimethylpyrazole?
The InChIKey is MZNFKLCJDCSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-11(8-6-2)12-9-10(3)13-14(12)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 5-heptan-4-yl-1,3-dimethylpyrazole?
5-heptan-4-yl-1,3-dimethylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-1,3-dimethylpyrazole is sourced from PubChem (CID 143472478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).