1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide

C11H19N5O — CID 63756134

IUPAC1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide
SMILESCc1nn(C)c(N(C)C2CCNC2)c1C(N)=O
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)17)11(16(3)14-7)15(2)8-4-5-13-6-8/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeyIYGLFIONCSKHMQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.37
Rot. Bonds3

About 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide

1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide (PubChem CID 63756134) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide
PubChem CID63756134
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide
SMILESCc1nn(C)c(N(C)C2CCNC2)c1C(N)=O
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)17)11(16(3)14-7)15(2)8-4-5-13-6-8/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeyIYGLFIONCSKHMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide (CID 63756134) is 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide is Cc1nn(C)c(N(C)C2CCNC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide?
The InChIKey is IYGLFIONCSKHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-9(10(12)17)11(16(3)14-7)15(2)8-4-5-13-6-8/h8,13H,4-6H2,1-3H3,(H2,12,17).
What are the key properties of 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide?
1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(pyrrolidin-3-yl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 63756134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).