2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine

C14H27N3 — CID 79225782

IUPAC2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C(C)CC)c(CC)c1CCNC
InChIInChI=1S/C14H27N3/c1-6-11(4)17-14(8-3)12(9-10-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3
InChIKeyQZWGCHXVZZTDEQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.74
Rot. Bonds7

About 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine

2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 79225782) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine
PubChem CID79225782
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C(C)CC)c(CC)c1CCNC
InChIInChI=1S/C14H27N3/c1-6-11(4)17-14(8-3)12(9-10-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3
InChIKeyQZWGCHXVZZTDEQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine (CID 79225782) is 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C(C)CC)c(CC)c1CCNC.
What is the InChIKey of 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is QZWGCHXVZZTDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-11(4)17-14(8-3)12(9-10-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3.
What are the key properties of 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine?
2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 79225782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).