3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine

C11H21N3 — CID 81016747

IUPAC3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
SMILESCCn1nccc1C(C)C(C)CNC
InChIInChI=1S/C11H21N3/c1-5-14-11(6-7-13-14)10(3)9(2)8-12-4/h6-7,9-10,12H,5,8H2,1-4H3
InChIKeyTXODDZMRBFUFQH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.86
Rot. Bonds5

About 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine

3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine (PubChem CID 81016747) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
PubChem CID81016747
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
SMILESCCn1nccc1C(C)C(C)CNC
InChIInChI=1S/C11H21N3/c1-5-14-11(6-7-13-14)10(3)9(2)8-12-4/h6-7,9-10,12H,5,8H2,1-4H3
InChIKeyTXODDZMRBFUFQH-UHFFFAOYSA-N
XLogP1.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutyl]hydrazine
CID 105307274
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
[2-ethyl-1-(2-ethylpyrazol-3-yl)butyl]hydrazine
CID 105307111
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
CID 63975901
[1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropyl]hydrazine
CID 105307223

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine (CID 81016747) is 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine is CCn1nccc1C(C)C(C)CNC.
What is the InChIKey of 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is TXODDZMRBFUFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-14-11(6-7-13-14)10(3)9(2)8-12-4/h6-7,9-10,12H,5,8H2,1-4H3.
What are the key properties of 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine?
3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 81016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).