5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C12H20N4O2 — CID 164627563

IUPAC5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)N[C@H]1COCC1(C)C
InChIInChI=1S/C12H20N4O2/c1-7-9(10(13)16(4)15-7)11(17)14-8-5-18-6-12(8,2)3/h8H,5-6,13H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyZQAZLEJOLVLUAF-QMMMGPOBSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds2

About 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide

5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 164627563) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID164627563
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)N[C@H]1COCC1(C)C
InChIInChI=1S/C12H20N4O2/c1-7-9(10(13)16(4)15-7)11(17)14-8-5-18-6-12(8,2)3/h8H,5-6,13H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyZQAZLEJOLVLUAF-QMMMGPOBSA-N
XLogP0.47
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 164627563) is 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(N)c1C(=O)N[C@H]1COCC1(C)C.
What is the InChIKey of 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZQAZLEJOLVLUAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-9(10(13)16(4)15-7)11(17)14-8-5-18-6-12(8,2)3/h8H,5-6,13H2,1-4H3,(H,14,17)/t8-/m0/s1.
What are the key properties of 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 164627563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).