N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

C19H22F3N3O — CID 59001148

IUPACN-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)n1nc(C2CC(c3ccccc3)C2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c1-18(2,3)25-16(23-17(26)19(20,21)22)11-15(24-25)14-9-13(10-14)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,23,26)
InChIKeyIEEOTSMVLYZIJY-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.80
Rot. Bonds3

About N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 59001148) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID59001148
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)n1nc(C2CC(c3ccccc3)C2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C19H22F3N3O/c1-18(2,3)25-16(23-17(26)19(20,21)22)11-15(24-25)14-9-13(10-14)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,23,26)
InChIKeyIEEOTSMVLYZIJY-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 1081357
2-ethyl-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]butanamide
CID 16030746
1-(3-Cyclobutyl-1-phenylpyrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 70789120
1-[3-(2,2-Difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-fluoro-3-methylphenyl)urea
CID 118715813
1-[3-(2-Methylcyclopropyl)-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(4-methylphenyl)urea
CID 118715847
1-[3-(2-Methylcyclopropyl)-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118715849
(E)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 118731091

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (CID 59001148) is N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is CC(C)(C)n1nc(C2CC(c3ccccc3)C2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is IEEOTSMVLYZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-18(2,3)25-16(23-17(26)19(20,21)22)11-15(24-25)14-9-13(10-14)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,23,26).
What are the key properties of N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 365.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(3-phenylcyclobutyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59001148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).