4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol

C21H18F3N3O — CID 139832962

IUPAC4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
SMILESCC1=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C2N1C1CC1
InChIInChI=1S/C21H18F3N3O/c1-12-16-4-2-3-5-17(16)18-19(26(12)14-10-11-14)20(28)27(25-18)15-8-6-13(7-9-15)21(22,23)24/h2-9,14,25,28H,10-11H2,1H3
InChIKeyACPKPNUQTQYAMC-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.17
Rot. Bonds2

About 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol

4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol (PubChem CID 139832962) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
PubChem CID139832962
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
SMILESCC1=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C2N1C1CC1
InChIInChI=1S/C21H18F3N3O/c1-12-16-4-2-3-5-17(16)18-19(26(12)14-10-11-14)20(28)27(25-18)15-8-6-13(7-9-15)21(22,23)24/h2-9,14,25,28H,10-11H2,1H3
InChIKeyACPKPNUQTQYAMC-UHFFFAOYSA-N
XLogP3.17
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832943
4-cyclopropyl-9-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171923734
4-(2-methylsulfinylethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171926528
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171925414
5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
CID 70281397
3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
CID 70284649
2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
CID 173292428
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117016861
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 70285916
1-[4-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 131870999
5,6-dimethyl-2-[4-(trifluoromethyl)phenyl]-4,7-dihydroisoindole-1,3-diol
CID 90922917
[1-cyclopropyl-2,6-dimethyl-5-propoxycarbonyloxy-4-[4-(trifluoromethyl)phenyl]-4H-pyridin-3-yl] ethyl carbonate
CID 67832823

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The IUPAC name of 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol (CID 139832962) is 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol.
What is the SMILES notation for 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The canonical SMILES for 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol is CC1=c2ccccc2=C2NN(c3ccc(C(F)(F)F)cc3)C(O)=C2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
The InChIKey is ACPKPNUQTQYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-12-16-4-2-3-5-17(16)18-19(26(12)14-10-11-14)20(28)27(25-18)15-8-6-13(7-9-15)21(22,23)24/h2-9,14,25,28H,10-11H2,1H3.
What are the key properties of 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol?
4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol has a molecular weight of 385.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol is sourced from PubChem (CID 139832962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).