1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine

C14H27N3 — CID 82698238

IUPAC1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CC(C)CC)c(CC)c1CNC
InChIInChI=1S/C14H27N3/c1-6-11(4)10-17-14(8-3)12(9-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3
InChIKeyLGYMWWSARZUVGR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds7

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

1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 82698238) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID82698238
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CC(C)CC)c(CC)c1CNC
InChIInChI=1S/C14H27N3/c1-6-11(4)10-17-14(8-3)12(9-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3
InChIKeyLGYMWWSARZUVGR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700478
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
1-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697018
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697614
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697339
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 114531654
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
CID 79224910
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine (CID 82698238) is 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine is CCc1nn(CC(C)CC)c(CC)c1CNC.
What is the InChIKey of 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is LGYMWWSARZUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-11(4)10-17-14(8-3)12(9-15-5)13(7-2)16-17/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 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-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82698238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).