1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine

C13H23N3 — CID 81004997

IUPAC1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCCc1c(C)nn(C2CCC2CNC)c1C
InChIInChI=1S/C13H23N3/c1-5-12-9(2)15-16(10(12)3)13-7-6-11(13)8-14-4/h11,13-14H,5-8H2,1-4H3
InChIKeyCCCLFDIDVJBTSJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine

1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 81004997) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine
PubChem CID81004997
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCCc1c(C)nn(C2CCC2CNC)c1C
InChIInChI=1S/C13H23N3/c1-5-12-9(2)15-16(10(12)3)13-7-6-11(13)8-14-4/h11,13-14H,5-8H2,1-4H3
InChIKeyCCCLFDIDVJBTSJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine (CID 81004997) is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine is CCc1c(C)nn(C2CCC2CNC)c1C.
What is the InChIKey of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is CCCLFDIDVJBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12-9(2)15-16(10(12)3)13-7-6-11(13)8-14-4/h11,13-14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81004997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).