1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine

C12H23N3 — CID 105168496

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

About 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine

1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 105168496) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine
PubChem CID105168496
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-6-10(7-2)12(13-4)11-8-14-15(5)9(11)3/h8,10,12-13H,6-7H2,1-5H3
InChIKeySSBVBNOIDZUUCG-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-methylethanamine
CID 23005795
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
CID 110010526
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
CID 79584724
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105183464
1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 105179535

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine (CID 105168496) is 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is SSBVBNOIDZUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-10(7-2)12(13-4)11-8-14-15(5)9(11)3/h8,10,12-13H,6-7H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-methylbutan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-2-ethyl-N-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)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 105168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).