N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide

C18H27F2N3O2 — CID 169169547

IUPACN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O2/c1-17(2,25-4)10-13(24)21-16-14(11-6-5-7-11)15(22-23(16)3)12-8-18(19,20)9-12/h11-12H,5-10H2,1-4H3,(H,21,24)
InChIKeyPLEIJMGHBIGGQG-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.95
Rot. Bonds6

About N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide

N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide (PubChem CID 169169547) has the molecular formula C18H27F2N3O2 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide
PubChem CID169169547
Molecular FormulaC18H27F2N3O2
Molecular Weight355.43 g/mol
Exact Mass355.21
IUPAC NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O2/c1-17(2,25-4)10-13(24)21-16-14(11-6-5-7-11)15(22-23(16)3)12-8-18(19,20)9-12/h11-12H,5-10H2,1-4H3,(H,21,24)
InChIKeyPLEIJMGHBIGGQG-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide (CID 169169547) is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C.
What is the InChIKey of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide?
The InChIKey is PLEIJMGHBIGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2/c1-17(2,25-4)10-13(24)21-16-14(11-6-5-7-11)15(22-23(16)3)12-8-18(19,20)9-12/h11-12H,5-10H2,1-4H3,(H,21,24).
What are the key properties of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide?
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide has a molecular weight of 355.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 169169547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).