N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide

C20H29F2N3O — CID 169169666

IUPACN-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(NC(=O)CC2CC(F)(F)C2)c(C2CCC2)c1C1CCCCC1
InChIInChI=1S/C20H29F2N3O/c1-25-18(15-6-3-2-4-7-15)17(14-8-5-9-14)19(24-25)23-16(26)10-13-11-20(21,22)12-13/h13-15H,2-12H2,1H3,(H,23,24,26)
InChIKeyHKMKTZZBBFEVMK-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.11
Rot. Bonds5

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

N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 169169666) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID169169666
Molecular FormulaC20H29F2N3O
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC NameN-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(NC(=O)CC2CC(F)(F)C2)c(C2CCC2)c1C1CCCCC1
InChIInChI=1S/C20H29F2N3O/c1-25-18(15-6-3-2-4-7-15)17(14-8-5-9-14)19(24-25)23-16(26)10-13-11-20(21,22)12-13/h13-15H,2-12H2,1H3,(H,23,24,26)
InChIKeyHKMKTZZBBFEVMK-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide (CID 169169666) is N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide is Cn1nc(NC(=O)CC2CC(F)(F)C2)c(C2CCC2)c1C1CCCCC1.
What is the InChIKey of N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is HKMKTZZBBFEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O/c1-25-18(15-6-3-2-4-7-15)17(14-8-5-9-14)19(24-25)23-16(26)10-13-11-20(21,22)12-13/h13-15H,2-12H2,1H3,(H,23,24,26).
What are the key properties of N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide?
N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 365.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 169169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).