N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide

C15H21F4N3O — CID 169169429

IUPACN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(F)F
InChIInChI=1S/C15H21F4N3O/c1-8-12(9-6-15(18,19)7-9)21-22(14(2,3)4)13(8)20-11(23)5-10(16)17/h9-10H,5-7H2,1-4H3,(H,20,23)
InChIKeyMUMDIZADBYQHJR-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.05
Rot. Bonds4

About N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide

N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide (PubChem CID 169169429) has the molecular formula C15H21F4N3O and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide.

Molecular Properties

Compound NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide
PubChem CID169169429
Molecular FormulaC15H21F4N3O
Molecular Weight335.35 g/mol
Exact Mass335.16
IUPAC NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(F)F
InChIInChI=1S/C15H21F4N3O/c1-8-12(9-6-15(18,19)7-9)21-22(14(2,3)4)13(8)20-11(23)5-10(16)17/h9-10H,5-7H2,1-4H3,(H,20,23)
InChIKeyMUMDIZADBYQHJR-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide?
The IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide (CID 169169429) is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide.
What is the SMILES notation for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide?
The canonical SMILES for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide is Cc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(F)F.
What is the InChIKey of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide?
The InChIKey is MUMDIZADBYQHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N3O/c1-8-12(9-6-15(18,19)7-9)21-22(14(2,3)4)13(8)20-11(23)5-10(16)17/h9-10H,5-7H2,1-4H3,(H,20,23).
What are the key properties of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide?
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide has a molecular weight of 335.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide is sourced from PubChem (CID 169169429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).