1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine

C15H27N3 — CID 82697256

IUPAC1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CCC2)c(CC)c1C(C)NC
InChIInChI=1S/C15H27N3/c1-5-13-15(11(3)16-4)14(6-2)18(17-13)10-12-8-7-9-12/h11-12,16H,5-10H2,1-4H3
InChIKeyNYDIMTCGUBNIAE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.09
Rot. Bonds6

About 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine

1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 82697256) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
PubChem CID82697256
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CCC2)c(CC)c1C(C)NC
InChIInChI=1S/C15H27N3/c1-5-13-15(11(3)16-4)14(6-2)18(17-13)10-12-8-7-9-12/h11-12,16H,5-10H2,1-4H3
InChIKeyNYDIMTCGUBNIAE-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine (CID 82697256) is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine is CCc1nn(CC2CCC2)c(CC)c1C(C)NC.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is NYDIMTCGUBNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13-15(11(3)16-4)14(6-2)18(17-13)10-12-8-7-9-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82697256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).