3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine

C14H27N3 — CID 79405405

IUPAC3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
SMILESCCCCC(CC)c1nn(C)c(N)c1CCC
InChIInChI=1S/C14H27N3/c1-5-8-10-11(7-3)13-12(9-6-2)14(15)17(4)16-13/h11H,5-10,15H2,1-4H3
InChIKeyJSUSQDASJXMYKV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.64
Rot. Bonds7

About 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine

3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405405) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405405
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
SMILESCCCCC(CC)c1nn(C)c(N)c1CCC
InChIInChI=1S/C14H27N3/c1-5-8-10-11(7-3)13-12(9-6-2)14(15)17(4)16-13/h11H,5-10,15H2,1-4H3
InChIKeyJSUSQDASJXMYKV-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine
CID 82985352
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine
CID 79405595
5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine
CID 79405291
5-(2,2-dimethylcyclopropyl)-2-methyl-4-propylpyrazol-3-amine
CID 107001768
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
CID 79406049
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 61496782
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62722130
2-methyl-5-tridecan-7-yl-1,2,4-triazol-3-amine
CID 170424488
1-methyl-4-(2-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 43336276
1-methyl-3-(5-methylthiophen-2-yl)-4-propylpyrazol-5-amine
CID 79406055

Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine (CID 79405405) is 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine is CCCCC(CC)c1nn(C)c(N)c1CCC.
What is the InChIKey of 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is JSUSQDASJXMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-10-11(7-3)13-12(9-6-2)14(15)17(4)16-13/h11H,5-10,15H2,1-4H3.
What are the key properties of 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine?
3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 237.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).