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

C11H20N4O — CID 62941352

IUPAC1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
SMILESCNCc1c(C)nn(C)c1N1CCC(O)C1
InChIInChI=1S/C11H20N4O/c1-8-10(6-12-2)11(14(3)13-8)15-5-4-9(16)7-15/h9,12,16H,4-7H2,1-3H3
InChIKeyBBHOTTXTGYEGAE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.02
Rot. Bonds3

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

1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol (PubChem CID 62941352) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
PubChem CID62941352
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
SMILESCNCc1c(C)nn(C)c1N1CCC(O)C1
InChIInChI=1S/C11H20N4O/c1-8-10(6-12-2)11(14(3)13-8)15-5-4-9(16)7-15/h9,12,16H,4-7H2,1-3H3
InChIKeyBBHOTTXTGYEGAE-UHFFFAOYSA-N
XLogP0.02
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol (CID 62941352) is 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol is CNCc1c(C)nn(C)c1N1CCC(O)C1.
What is the InChIKey of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol?
The InChIKey is BBHOTTXTGYEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-10(6-12-2)11(14(3)13-8)15-5-4-9(16)7-15/h9,12,16H,4-7H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol?
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol has a molecular weight of 224.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 62941352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).