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

C19H25F4N3O — CID 169169281

IUPACN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-26-17(24-15(27)6-12-9-19(22,23)10-12)16(13-3-2-4-13)14(25-26)5-11-7-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27)
InChIKeySALYXJLHQNMZSE-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.65
Rot. Bonds6

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

N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 169169281) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID169169281
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-26-17(24-15(27)6-12-9-19(22,23)10-12)16(13-3-2-4-13)14(25-26)5-11-7-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27)
InChIKeySALYXJLHQNMZSE-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.65
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]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 169169281) is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide is Cn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is SALYXJLHQNMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N3O/c1-26-17(24-15(27)6-12-9-19(22,23)10-12)16(13-3-2-4-13)14(25-26)5-11-7-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27).
What are the key properties of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 387.42 g/mol, XLogP of 4.65, 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]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 169169281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).