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

C18H27F2N3O — CID 169169267

IUPACN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyRSVXDJWBBVDUDZ-UHFFFAOYSA-N
MW339.43 g/mol
LogP4.26
Rot. Bonds6

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

N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide (PubChem CID 169169267) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
PubChem CID169169267
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyRSVXDJWBBVDUDZ-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide (CID 169169267) is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C.
What is the InChIKey of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
The InChIKey is RSVXDJWBBVDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide has a molecular weight of 339.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide is sourced from PubChem (CID 169169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).