1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine

C12H23N3 — CID 105083312

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-6-13-12(7-9(2)3)11-8-14-15(5)10(11)4/h8-9,12-13H,6-7H2,1-5H3
InChIKeyKCEBUEGRQUHPQR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.43
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 105083312) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID105083312
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-6-13-12(7-9(2)3)11-8-14-15(5)10(11)4/h8-9,12-13H,6-7H2,1-5H3
InChIKeyKCEBUEGRQUHPQR-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105157600
2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
CID 79584724
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107892213

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine (CID 105083312) is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is KCEBUEGRQUHPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-13-12(7-9(2)3)11-8-14-15(5)10(11)4/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 105083312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).