[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C17H20F2N4O — CID 138034005

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H20F2N4O/c18-17(19)23-15(6-8-20-23)16(24)22-12-10-21(11-13-22)9-7-14-4-2-1-3-5-14/h1-6,8,17H,7,9-13H2
InChIKeyIFERIUICYVMDSK-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.28
Rot. Bonds5

About [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 138034005) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID138034005
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H20F2N4O/c18-17(19)23-15(6-8-20-23)16(24)22-12-10-21(11-13-22)9-7-14-4-2-1-3-5-14/h1-6,8,17H,7,9-13H2
InChIKeyIFERIUICYVMDSK-UHFFFAOYSA-N
XLogP2.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479126
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19479124
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19333506
[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4767757
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 70770931
2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482322
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55706709
2-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 136541799
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 71789354
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 138034005) is [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1ccnn1C(F)F)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is IFERIUICYVMDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-17(19)23-15(6-8-20-23)16(24)22-12-10-21(11-13-22)9-7-14-4-2-1-3-5-14/h1-6,8,17H,7,9-13H2.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 334.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138034005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).