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

C19H27F2N3O2 — CID 169169433

IUPACN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2c(C3CCC3)c(C3CC(F)(F)C3)nn2C)CCC1
InChIInChI=1S/C19H27F2N3O2/c1-24-17(22-14(25)11-18(26-2)7-4-8-18)15(12-5-3-6-12)16(23-24)13-9-19(20,21)10-13/h12-13H,3-11H2,1-2H3,(H,22,25)
InChIKeyHGTQHCPZJKUXNB-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.10
Rot. Bonds6

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

N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 169169433) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID169169433
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2c(C3CCC3)c(C3CC(F)(F)C3)nn2C)CCC1
InChIInChI=1S/C19H27F2N3O2/c1-24-17(22-14(25)11-18(26-2)7-4-8-18)15(12-5-3-6-12)16(23-24)13-9-19(20,21)10-13/h12-13H,3-11H2,1-2H3,(H,22,25)
InChIKeyHGTQHCPZJKUXNB-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.10
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]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide (CID 169169433) is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2c(C3CCC3)c(C3CC(F)(F)C3)nn2C)CCC1.
What is the InChIKey of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is HGTQHCPZJKUXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-24-17(22-14(25)11-18(26-2)7-4-8-18)15(12-5-3-6-12)16(23-24)13-9-19(20,21)10-13/h12-13H,3-11H2,1-2H3,(H,22,25).
What are the key properties of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide?
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 367.44 g/mol, XLogP of 4.10, 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]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 169169433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).