1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine

C15H29N3 — CID 107887130

IUPAC1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
SMILESCCCC(C)n1nc(CC)c(C(C)NC)c1CC
InChIInChI=1S/C15H29N3/c1-7-10-11(4)18-14(9-3)15(12(5)16-6)13(8-2)17-18/h11-12,16H,7-10H2,1-6H3
InChIKeyCRNGFVQWPYPFEF-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.65
Rot. Bonds7

About 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine

1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine (PubChem CID 107887130) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
PubChem CID107887130
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
SMILESCCCC(C)n1nc(CC)c(C(C)NC)c1CC
InChIInChI=1S/C15H29N3/c1-7-10-11(4)18-14(9-3)15(12(5)16-6)13(8-2)17-18/h11-12,16H,7-10H2,1-6H3
InChIKeyCRNGFVQWPYPFEF-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine
CID 79225782
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 82700203
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82697373
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82700205

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine (CID 107887130) is 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine is CCCC(C)n1nc(CC)c(C(C)NC)c1CC.
What is the InChIKey of 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is CRNGFVQWPYPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-10-11(4)18-14(9-3)15(12(5)16-6)13(8-2)17-18/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 107887130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).