2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one

C19H21ClF4N4O — CID 19536294

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2Cl)CC1)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C19H21ClF4N4O/c1-12(28-16(18(23)24)10-15(25-28)17(21)22)19(29)27-8-6-26(7-9-27)11-13-4-2-3-5-14(13)20/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyHEPWIASDTRQANH-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.32
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19536294) has the molecular formula C19H21ClF4N4O and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19536294
Molecular FormulaC19H21ClF4N4O
Molecular Weight432.85 g/mol
Exact Mass432.13
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(Cc2ccccc2Cl)CC1)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C19H21ClF4N4O/c1-12(28-16(18(23)24)10-15(25-28)17(21)22)19(29)27-8-6-26(7-9-27)11-13-4-2-3-5-14(13)20/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyHEPWIASDTRQANH-UHFFFAOYSA-N
XLogP4.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536298
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531497
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536414
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propan-1-one
CID 19536657
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-one
CID 19540407
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
CID 7018497
1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
CID 19536602
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19279469
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536413
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 175319388
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (CID 19536294) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(Cc2ccccc2Cl)CC1)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is HEPWIASDTRQANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF4N4O/c1-12(28-16(18(23)24)10-15(25-28)17(21)22)19(29)27-8-6-26(7-9-27)11-13-4-2-3-5-14(13)20/h2-5,10,12,17-18H,6-9,11H2,1H3.
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 432.85 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).