2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine

C13H25N3 — CID 83159196

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCCn1cc(CC(C)(CNC)C(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-9-12(8-15-16)7-13(4,10-14-5)11(2)3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyLYNKLICCADAVKF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.33
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine (PubChem CID 83159196) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
PubChem CID83159196
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCCn1cc(CC(C)(CNC)C(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-9-12(8-15-16)7-13(4,10-14-5)11(2)3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyLYNKLICCADAVKF-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-N-methylbutan-1-amine
CID 62723442
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
1,4-diethylpyrazole;ethane
CID 143641951
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
CID 62725434

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine (CID 83159196) is 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine is CCn1cc(CC(C)(CNC)C(C)C)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The InChIKey is LYNKLICCADAVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-16-9-12(8-15-16)7-13(4,10-14-5)11(2)3/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 83159196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).