1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H22N4 — CID 115378214

IUPAC1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCn1cc(CNc2ccc(C)c(N(C)C)c2)cn1
InChIInChI=1S/C15H22N4/c1-5-19-11-13(10-17-19)9-16-14-7-6-12(2)15(8-14)18(3)4/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyNPZPWDDBVGZITR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.89
Rot. Bonds5

About 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115378214) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115378214
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCn1cc(CNc2ccc(C)c(N(C)C)c2)cn1
InChIInChI=1S/C15H22N4/c1-5-19-11-13(10-17-19)9-16-14-7-6-12(2)15(8-14)18(3)4/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyNPZPWDDBVGZITR-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1-ethylpyrrol-3-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376667
5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
CID 126820486
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103934431
5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 103569190
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115378214) is 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is CCn1cc(CNc2ccc(C)c(N(C)C)c2)cn1.
What is the InChIKey of 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is NPZPWDDBVGZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-19-11-13(10-17-19)9-16-14-7-6-12(2)15(8-14)18(3)4/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115378214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).