N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide

C19H29F2N3O — CID 169169531

IUPACN-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
SMILESCc1c(C2CCC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H29F2N3O/c1-12-16(13-8-9-19(20,21)10-13)23-24(14-6-5-7-14)17(12)22-15(25)11-18(2,3)4/h13-14H,5-11H2,1-4H3,(H,22,25)
InChIKeyNEFZABSRFIJXGF-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.19
Rot. Bonds4

About N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide

N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide (PubChem CID 169169531) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
PubChem CID169169531
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
SMILESCc1c(C2CCC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H29F2N3O/c1-12-16(13-8-9-19(20,21)10-13)23-24(14-6-5-7-14)17(12)22-15(25)11-18(2,3)4/h13-14H,5-11H2,1-4H3,(H,22,25)
InChIKeyNEFZABSRFIJXGF-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide (CID 169169531) is N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide is Cc1c(C2CCC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide?
The InChIKey is NEFZABSRFIJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-12-16(13-8-9-19(20,21)10-13)23-24(14-6-5-7-14)17(12)22-15(25)11-18(2,3)4/h13-14H,5-11H2,1-4H3,(H,22,25).
What are the key properties of N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide?
N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide has a molecular weight of 353.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-5-(3,3-difluorocyclopentyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 169169531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).