N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C13H26N4 — CID 115761351

IUPACN'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCn1nccc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C13H26N4/c1-6-17-12(7-8-15-17)9-14-10-13(2,3)11-16(4)5/h7-8,14H,6,9-11H2,1-5H3
InChIKeyJNFYJZQLYOKYAI-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.58
Rot. Bonds7

About N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 115761351) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID115761351
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCn1nccc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C13H26N4/c1-6-17-12(7-8-15-17)9-14-10-13(2,3)11-16(4)5/h7-8,14H,6,9-11H2,1-5H3
InChIKeyJNFYJZQLYOKYAI-UHFFFAOYSA-N
XLogP1.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 115761351) is N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is CCn1nccc1CNCC(C)(C)CN(C)C.
What is the InChIKey of N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is JNFYJZQLYOKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-17-12(7-8-15-17)9-14-10-13(2,3)11-16(4)5/h7-8,14H,6,9-11H2,1-5H3.
What are the key properties of N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 115761351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).