N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide

C14H19F2N5O2 — CID 127753690

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)C2=O)n(C)n1
InChIInChI=1S/C14H19F2N5O2/c1-9-7-11(19(2)18-9)21-5-3-10(12(21)22)17-13(23)20-6-4-14(15,16)8-20/h7,10H,3-6,8H2,1-2H3,(H,17,23)
InChIKeyCNWCBBXPKAPFOY-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.88
Rot. Bonds2

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 127753690) has the molecular formula C14H19F2N5O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID127753690
Molecular FormulaC14H19F2N5O2
Molecular Weight327.34 g/mol
Exact Mass327.15
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)C2=O)n(C)n1
InChIInChI=1S/C14H19F2N5O2/c1-9-7-11(19(2)18-9)21-5-3-10(12(21)22)17-13(23)20-6-4-14(15,16)8-20/h7,10H,3-6,8H2,1-2H3,(H,17,23)
InChIKeyCNWCBBXPKAPFOY-UHFFFAOYSA-N
XLogP0.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide (CID 127753690) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide is Cc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is CNWCBBXPKAPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O2/c1-9-7-11(19(2)18-9)21-5-3-10(12(21)22)17-13(23)20-6-4-14(15,16)8-20/h7,10H,3-6,8H2,1-2H3,(H,17,23).
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 127753690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).