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

C15H27N3O — CID 82697791

IUPAC1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CCC2CCCO2)c(CC)c1CNC
InChIInChI=1S/C15H27N3O/c1-4-14-13(11-16-3)15(5-2)18(17-14)9-8-12-7-6-10-19-12/h12,16H,4-11H2,1-3H3
InChIKeyNGZSEYCVICDGTI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds7

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

1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 82697791) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID82697791
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(CCC2CCCO2)c(CC)c1CNC
InChIInChI=1S/C15H27N3O/c1-4-14-13(11-16-3)15(5-2)18(17-14)9-8-12-7-6-10-19-12/h12,16H,4-11H2,1-3H3
InChIKeyNGZSEYCVICDGTI-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine (CID 82697791) is 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine is CCc1nn(CCC2CCCO2)c(CC)c1CNC.
What is the InChIKey of 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is NGZSEYCVICDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14-13(11-16-3)15(5-2)18(17-14)9-8-12-7-6-10-19-12/h12,16H,4-11H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82697791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).