3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide

C12H16F2N4O — CID 127753765

IUPAC3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N4O/c13-12(14)4-5-18(7-12)11(19)16-9-3-1-2-8-6-15-17-10(8)9/h6,9H,1-5,7H2,(H,15,17)(H,16,19)
InChIKeyAKZVJCCUICXGLT-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.84
Rot. Bonds1

About 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide

3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide (PubChem CID 127753765) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide
PubChem CID127753765
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N4O/c13-12(14)4-5-18(7-12)11(19)16-9-3-1-2-8-6-15-17-10(8)9/h6,9H,1-5,7H2,(H,15,17)(H,16,19)
InChIKeyAKZVJCCUICXGLT-UHFFFAOYSA-N
XLogP1.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide (CID 127753765) is 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCc2cn[nH]c21)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide?
The InChIKey is AKZVJCCUICXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c13-12(14)4-5-18(7-12)11(19)16-9-3-1-2-8-6-15-17-10(8)9/h6,9H,1-5,7H2,(H,15,17)(H,16,19).
What are the key properties of 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide?
3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127753765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).