1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride

C22H24ClF4N5O — CID 90205811

IUPAC1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride
SMILESCc1nc(C(F)(F)F)cn1C1CC(C)N(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cl
InChIInChI=1S/C22H23F4N5O.ClH/c1-12(2)20-18(10-27-31(20)16-7-5-15(23)6-8-16)30-13(3)9-17(21(30)32)29-11-19(22(24,25)26)28-14(29)4;/h5-8,10-13,17H,9H2,1-4H3;1H
InChIKeyQKZOPYPKCQHIQL-UHFFFAOYSA-N
MW485.91 g/mol
LogP5.45
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride

1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 90205811) has the molecular formula C22H24ClF4N5O and a molecular weight of 485.91 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride
PubChem CID90205811
Molecular FormulaC22H24ClF4N5O
Molecular Weight485.91 g/mol
Exact Mass485.16
IUPAC Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride
SMILESCc1nc(C(F)(F)F)cn1C1CC(C)N(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cl
InChIInChI=1S/C22H23F4N5O.ClH/c1-12(2)20-18(10-27-31(20)16-7-5-15(23)6-8-16)30-13(3)9-17(21(30)32)29-11-19(22(24,25)26)28-14(29)4;/h5-8,10-13,17H,9H2,1-4H3;1H
InChIKeyQKZOPYPKCQHIQL-UHFFFAOYSA-N
XLogP5.45
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.91
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride (CID 90205811) is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride is Cc1nc(C(F)(F)F)cn1C1CC(C)N(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cl.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is QKZOPYPKCQHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O.ClH/c1-12(2)20-18(10-27-31(20)16-7-5-15(23)6-8-16)30-13(3)9-17(21(30)32)29-11-19(22(24,25)26)28-14(29)4;/h5-8,10-13,17H,9H2,1-4H3;1H.
What are the key properties of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride?
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 485.91 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 90205811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).