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

C11H19N5O — CID 113282108

IUPAC1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide
SMILESCNC1CCN(c2c(C(N)=O)c(C)nn2C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)17)11(15(3)14-7)16-5-4-8(6-16)13-2/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeySYZDEQFMSHBAAF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.37
Rot. Bonds3

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

1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide (PubChem CID 113282108) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide
PubChem CID113282108
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide
SMILESCNC1CCN(c2c(C(N)=O)c(C)nn2C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)17)11(15(3)14-7)16-5-4-8(6-16)13-2/h8,13H,4-6H2,1-3H3,(H2,12,17)
InChIKeySYZDEQFMSHBAAF-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-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide (CID 113282108) is 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide is CNC1CCN(c2c(C(N)=O)c(C)nn2C)C1.
What is the InChIKey of 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide?
The InChIKey is SYZDEQFMSHBAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-9(10(12)17)11(15(3)14-7)16-5-4-8(6-16)13-2/h8,13H,4-6H2,1-3H3,(H2,12,17).
What are the key properties of 1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide?
1,3-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]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-[3-(methylamino)pyrrolidin-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 113282108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).