4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol

C20H18F3N3O — CID 139832943

IUPAC4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
SMILESCC(C)N1C=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C21
InChIInChI=1S/C20H18F3N3O/c1-12(2)25-11-13-5-3-4-6-16(13)17-18(25)19(27)26(24-17)15-9-7-14(8-10-15)20(21,22)23/h3-12,24,27H,1-2H3
InChIKeyDEAQLHGMEHIKIQ-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.03
Rot. Bonds2

About 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol

4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol (PubChem CID 139832943) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
PubChem CID139832943
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
SMILESCC(C)N1C=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C21
InChIInChI=1S/C20H18F3N3O/c1-12(2)25-11-13-5-3-4-6-16(13)17-18(25)19(27)26(24-17)15-9-7-14(8-10-15)20(21,22)23/h3-12,24,27H,1-2H3
InChIKeyDEAQLHGMEHIKIQ-UHFFFAOYSA-N
XLogP3.03
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171925414
4-(2-methylsulfinylethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171926528
4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832962
4-cyclopropyl-9-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171923734
3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
CID 70284649
5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
CID 70281397
4-(2-methylsulfinylethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-1-ium-3-ol hydroxide
CID 139832966
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 70285916
2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
CID 173292428
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-3-one;hydrate
CID 162541798
1-[4-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 131870999

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The IUPAC name of 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol (CID 139832943) is 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol.
What is the SMILES notation for 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The canonical SMILES for 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol is CC(C)N1C=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C21.
What is the InChIKey of 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The InChIKey is DEAQLHGMEHIKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12(2)25-11-13-5-3-4-6-16(13)17-18(25)19(27)26(24-17)15-9-7-14(8-10-15)20(21,22)23/h3-12,24,27H,1-2H3.
What are the key properties of 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol has a molecular weight of 373.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol is sourced from PubChem (CID 139832943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).