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

C21H25F2N3O2 — CID 169169856

IUPACN-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2nn(C)c(-c3ccc(F)c(F)c3)c2C2CCC2)CCC1
InChIInChI=1S/C21H25F2N3O2/c1-26-19(14-7-8-15(22)16(23)11-14)18(13-5-3-6-13)20(25-26)24-17(27)12-21(28-2)9-4-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,25,27)
InChIKeyHBLYPIKWXUNKIE-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.53
Rot. Bonds6

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

N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 169169856) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID169169856
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2nn(C)c(-c3ccc(F)c(F)c3)c2C2CCC2)CCC1
InChIInChI=1S/C21H25F2N3O2/c1-26-19(14-7-8-15(22)16(23)11-14)18(13-5-3-6-13)20(25-26)24-17(27)12-21(28-2)9-4-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,25,27)
InChIKeyHBLYPIKWXUNKIE-UHFFFAOYSA-N
XLogP4.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.53
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-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide (CID 169169856) is N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2nn(C)c(-c3ccc(F)c(F)c3)c2C2CCC2)CCC1.
What is the InChIKey of N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is HBLYPIKWXUNKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-26-19(14-7-8-15(22)16(23)11-14)18(13-5-3-6-13)20(25-26)24-17(27)12-21(28-2)9-4-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 4.53, 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-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 169169856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).