(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H24F2N4O2 — CID 97083192

IUPAC(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(C(F)F)n1
InChIInChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24)/t11-/m1/s1
InChIKeyYFWKSJLVXQSPLY-LLVKDONJSA-N
MW342.39 g/mol
LogP2.67
Rot. Bonds6

About (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 97083192) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID97083192
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(C(F)F)n1
InChIInChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24)/t11-/m1/s1
InChIKeyYFWKSJLVXQSPLY-LLVKDONJSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 97083192) is (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(C(F)F)n1.
What is the InChIKey of (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YFWKSJLVXQSPLY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24)/t11-/m1/s1.
What are the key properties of (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97083192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).