1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C13H21N5 — CID 79224959

IUPAC1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)c1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-9(12-6-15-17(4)8-12)14-7-13-10(2)16-18(5)11(13)3/h6,8-9,14H,7H2,1-5H3
InChIKeyHWVSNTLZGGWETO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 79224959) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID79224959
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)c1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-9(12-6-15-17(4)8-12)14-7-13-10(2)16-18(5)11(13)3/h6,8-9,14H,7H2,1-5H3
InChIKeyHWVSNTLZGGWETO-UHFFFAOYSA-N
XLogP1.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 103780244
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
1-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62881310

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 79224959) is 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNC(C)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HWVSNTLZGGWETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(12-6-15-17(4)8-12)14-7-13-10(2)16-18(5)11(13)3/h6,8-9,14H,7H2,1-5H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79224959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).