4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine

C13H25N3 — CID 82985352

IUPAC4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine
SMILESCCCC(CCC)c1nn(C)c(N)c1CC
InChIInChI=1S/C13H25N3/c1-5-8-10(9-6-2)12-11(7-3)13(14)16(4)15-12/h10H,5-9,14H2,1-4H3
InChIKeyAVUWNOUZKWEAGL-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.25
Rot. Bonds6

About 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine

4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine (PubChem CID 82985352) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine
PubChem CID82985352
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine
SMILESCCCC(CCC)c1nn(C)c(N)c1CC
InChIInChI=1S/C13H25N3/c1-5-8-10(9-6-2)12-11(7-3)13(14)16(4)15-12/h10H,5-9,14H2,1-4H3
InChIKeyAVUWNOUZKWEAGL-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.25
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
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
5-cyclobutyl-4-ethyl-2-methylpyrazol-3-amine
CID 43670778
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
4-(aminomethyl)-1-methylpyrazole-3,5-diamine
CID 117123313
3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670796
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
1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
CID 83530248
5-(2,2-dimethylpropyl)-2-methyl-4-propylpyrazol-3-amine
CID 79405291
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 61496782

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine?
The IUPAC name of 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine (CID 82985352) is 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine?
The canonical SMILES for 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine is CCCC(CCC)c1nn(C)c(N)c1CC.
What is the InChIKey of 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine?
The InChIKey is AVUWNOUZKWEAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-8-10(9-6-2)12-11(7-3)13(14)16(4)15-12/h10H,5-9,14H2,1-4H3.
What are the key properties of 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine?
4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine has a molecular weight of 223.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-heptan-4-yl-1-methylpyrazol-5-amine is sourced from PubChem (CID 82985352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).