ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine

C11H23N3 — CID 156792933

IUPACethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCC.CCc1nn(C(C)C)c(C)c1N
InChIInChI=1S/C9H17N3.C2H6/c1-5-8-9(10)7(4)12(11-8)6(2)3;1-2/h6H,5,10H2,1-4H3;1-2H3
InChIKeyXKBRNKHFRLJQHV-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.94
Rot. Bonds2

About ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine

ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 156792933) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Nameethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID156792933
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCC.CCc1nn(C(C)C)c(C)c1N
InChIInChI=1S/C9H17N3.C2H6/c1-5-8-9(10)7(4)12(11-8)6(2)3;1-2/h6H,5,10H2,1-4H3;1-2H3
InChIKeyXKBRNKHFRLJQHV-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine (CID 156792933) is ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine is CC.CCc1nn(C(C)C)c(C)c1N.
What is the InChIKey of ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is XKBRNKHFRLJQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C2H6/c1-5-8-9(10)7(4)12(11-8)6(2)3;1-2/h6H,5,10H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine?
ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 197.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 156792933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).