2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

C19H25F3N6O3S — CID 19536241

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C
InChIInChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLWASIQFPXADQQH-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.92
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 19536241) has the molecular formula C19H25F3N6O3S and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID19536241
Molecular FormulaC19H25F3N6O3S
Molecular Weight474.51 g/mol
Exact Mass474.17
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C
InChIInChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLWASIQFPXADQQH-UHFFFAOYSA-N
XLogP1.92
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19536217
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390583
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19536233
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
CID 19536121
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19535072
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
CID 19540353
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479016
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19535194

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (CID 19536241) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is Cc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is LWASIQFPXADQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 474.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).