N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane

C19H33F2N3O2 — CID 169169289

IUPACN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane
SMILESCC.CCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(C)O
InChIInChI=1S/C17H27F2N3O2.C2H6/c1-6-12-14(11-8-17(18,19)9-11)21-22(16(3,4)5)15(12)20-13(24)7-10(2)23;1-2/h10-11,23H,6-9H2,1-5H3,(H,20,24);1-2H3
InChIKeyLDPXXSQICODABO-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.45
Rot. Bonds5

About N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane

N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane (PubChem CID 169169289) has the molecular formula C19H33F2N3O2 and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane.

Molecular Properties

Compound NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane
PubChem CID169169289
Molecular FormulaC19H33F2N3O2
Molecular Weight373.49 g/mol
Exact Mass373.25
IUPAC NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane
SMILESCC.CCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(C)O
InChIInChI=1S/C17H27F2N3O2.C2H6/c1-6-12-14(11-8-17(18,19)9-11)21-22(16(3,4)5)15(12)20-13(24)7-10(2)23;1-2/h10-11,23H,6-9H2,1-5H3,(H,20,24);1-2H3
InChIKeyLDPXXSQICODABO-UHFFFAOYSA-N
XLogP4.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-(trifluoromethyl)octanamide
CID 169169255
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 169169295
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 169169347
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide
CID 169169401
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-difluoropropanamide
CID 169169429
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
CID 169169433
(1R)-N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169452
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-methoxy-3-methylbutanamide
CID 169169547
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 169169607
(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide
CID 169169622
N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide
CID 170136341

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane?
The IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane (CID 169169289) is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane.
What is the SMILES notation for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane?
The canonical SMILES for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane is CC.CCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC(C)O.
What is the InChIKey of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane?
The InChIKey is LDPXXSQICODABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O2.C2H6/c1-6-12-14(11-8-17(18,19)9-11)21-22(16(3,4)5)15(12)20-13(24)7-10(2)23;1-2/h10-11,23H,6-9H2,1-5H3,(H,20,24);1-2H3.
What are the key properties of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane?
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane has a molecular weight of 373.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane is sourced from PubChem (CID 169169289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).