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

C19H25F4N3O — CID 169169462

IUPACN-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-11-15(17(2)9-19(22,23)10-17)25-26(13-4-3-5-13)16(11)24-14(27)6-12-7-18(20,21)8-12/h12-13H,3-10H2,1-2H3,(H,24,27)
InChIKeyPMOBXNWPRNBSDF-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.98
Rot. Bonds5

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

N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 169169462) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID169169462
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC NameN-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-11-15(17(2)9-19(22,23)10-17)25-26(13-4-3-5-13)16(11)24-14(27)6-12-7-18(20,21)8-12/h12-13H,3-10H2,1-2H3,(H,24,27)
InChIKeyPMOBXNWPRNBSDF-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 169169462) is N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide is Cc1c(C2(C)CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is PMOBXNWPRNBSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N3O/c1-11-15(17(2)9-19(22,23)10-17)25-26(13-4-3-5-13)16(11)24-14(27)6-12-7-18(20,21)8-12/h12-13H,3-10H2,1-2H3,(H,24,27).
What are the key properties of N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 387.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 169169462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).