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

C13H23N3 — CID 65463065

IUPAC1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CC2CCC2)c1C
InChIInChI=1S/C13H23N3/c1-9(14-4)13-10(2)15-16(11(13)3)8-12-6-5-7-12/h9,12,14H,5-8H2,1-4H3
InChIKeyPFQYQVYGQALKOM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.58
Rot. Bonds4

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

1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 65463065) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID65463065
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(CC2CCC2)c1C
InChIInChI=1S/C13H23N3/c1-9(14-4)13-10(2)15-16(11(13)3)8-12-6-5-7-12/h9,12,14H,5-8H2,1-4H3
InChIKeyPFQYQVYGQALKOM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 65463065) is 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1c(C)nn(CC2CCC2)c1C.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is PFQYQVYGQALKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(14-4)13-10(2)15-16(11(13)3)8-12-6-5-7-12/h9,12,14H,5-8H2,1-4H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.58, 4 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-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 65463065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).