1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine

C14H27N3 — CID 82697714

IUPAC1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC(C)C)c(CC)c1C(C)NC
InChIInChI=1S/C14H27N3/c1-7-12-14(11(5)15-6)13(8-2)17(16-12)9-10(3)4/h10-11,15H,7-9H2,1-6H3
InChIKeyCYXFTYKCMRRZOO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.94
Rot. Bonds6

About 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine

1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 82697714) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID82697714
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC(C)C)c(CC)c1C(C)NC
InChIInChI=1S/C14H27N3/c1-7-12-14(11(5)15-6)13(8-2)17(16-12)9-10(3)4/h10-11,15H,7-9H2,1-6H3
InChIKeyCYXFTYKCMRRZOO-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine (CID 82697714) is 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine is CCc1nn(CC(C)C)c(CC)c1C(C)NC.
What is the InChIKey of 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is CYXFTYKCMRRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-12-14(11(5)15-6)13(8-2)17(16-12)9-10(3)4/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine?
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.94, 6 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-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82697714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).