(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C12H20N4O — CID 79189036

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(C)C(C)C2)c1N
InChIInChI=1S/C12H20N4O/c1-7-5-16(6-8(7)2)12(17)11-10(13)9(3)14-15(11)4/h7-8H,5-6,13H2,1-4H3
InChIKeyCXMNGOABSRSSGC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.04
Rot. Bonds1

About (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79189036) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79189036
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(C)C(C)C2)c1N
InChIInChI=1S/C12H20N4O/c1-7-5-16(6-8(7)2)12(17)11-10(13)9(3)14-15(11)4/h7-8H,5-6,13H2,1-4H3
InChIKeyCXMNGOABSRSSGC-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79189036) is (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is Cc1nn(C)c(C(=O)N2CC(C)C(C)C2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is CXMNGOABSRSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-5-16(6-8(7)2)12(17)11-10(13)9(3)14-15(11)4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79189036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).