5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C13H17FN4O2 — CID 131687871

IUPAC5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C13H17FN4O2/c1-16(2)11(19)10-8-6-18(7-9(8)17(3)15-10)12(20)13(14)4-5-13/h4-7H2,1-3H3
InChIKeyDZXRUVWNXJZOIY-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.47
Rot. Bonds2

About 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 131687871) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID131687871
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C13H17FN4O2/c1-16(2)11(19)10-8-6-18(7-9(8)17(3)15-10)12(20)13(14)4-5-13/h4-7H2,1-3H3
InChIKeyDZXRUVWNXJZOIY-UHFFFAOYSA-N
XLogP0.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 131687871) is 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CN(C(=O)C1(F)CC1)C2.
What is the InChIKey of 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is DZXRUVWNXJZOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-16(2)11(19)10-8-6-18(7-9(8)17(3)15-10)12(20)13(14)4-5-13/h4-7H2,1-3H3.
What are the key properties of 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropanecarbonyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 131687871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).