(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide

C19H29F2N3O — CID 169169622

IUPAC(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide
SMILESCC(C)[C@@H](C)C(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C19H29F2N3O/c1-11(2)12(3)18(25)22-17-16(14-6-5-7-14)15(23-24(17)4)8-13-9-19(20,21)10-13/h11-14H,5-10H2,1-4H3,(H,22,25)/t12-/m1/s1
InChIKeyOIEVOLJSQBYNNM-GFCCVEGCSA-N
MW353.46 g/mol
LogP4.51
Rot. Bonds6

About (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide

(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide (PubChem CID 169169622) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide
PubChem CID169169622
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide
SMILESCC(C)[C@@H](C)C(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C19H29F2N3O/c1-11(2)12(3)18(25)22-17-16(14-6-5-7-14)15(23-24(17)4)8-13-9-19(20,21)10-13/h11-14H,5-10H2,1-4H3,(H,22,25)/t12-/m1/s1
InChIKeyOIEVOLJSQBYNNM-GFCCVEGCSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide (CID 169169622) is (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide is CC(C)[C@@H](C)C(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C.
What is the InChIKey of (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide?
The InChIKey is OIEVOLJSQBYNNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-11(2)12(3)18(25)22-17-16(14-6-5-7-14)15(23-24(17)4)8-13-9-19(20,21)10-13/h11-14H,5-10H2,1-4H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide?
(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide has a molecular weight of 353.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide is sourced from PubChem (CID 169169622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).