2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C13H22N4O — CID 43647676

IUPAC2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCc1c(C)nn(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(8-14-3)11(2)17(15-10)9-13(18)16-6-4-5-7-16/h14H,4-9H2,1-3H3
InChIKeyVDRZHJOIGFMLNN-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 43647676) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID43647676
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCc1c(C)nn(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(8-14-3)11(2)17(15-10)9-13(18)16-6-4-5-7-16/h14H,4-9H2,1-3H3
InChIKeyVDRZHJOIGFMLNN-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 43647676) is 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is CNCc1c(C)nn(CC(=O)N2CCCC2)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VDRZHJOIGFMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(8-14-3)11(2)17(15-10)9-13(18)16-6-4-5-7-16/h14H,4-9H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 250.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43647676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).