2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone

C16H23F3N4O — CID 35293900

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C16H23F3N4O/c1-2-5-21-6-8-22(9-7-21)15(24)11-23-13(12-3-4-12)10-14(20-23)16(17,18)19/h10,12H,2-9,11H2,1H3
InChIKeyMKGCSNBUJZCPDS-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.33
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 35293900) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID35293900
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C16H23F3N4O/c1-2-5-21-6-8-22(9-7-21)15(24)11-23-13(12-3-4-12)10-14(20-23)16(17,18)19/h10,12H,2-9,11H2,1H3
InChIKeyMKGCSNBUJZCPDS-UHFFFAOYSA-N
XLogP2.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone (CID 35293900) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is MKGCSNBUJZCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-2-5-21-6-8-22(9-7-21)15(24)11-23-13(12-3-4-12)10-14(20-23)16(17,18)19/h10,12H,2-9,11H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 344.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 35293900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).