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

C16H17F3N4O — CID 19479126

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H17F3N4O/c17-13-4-2-1-3-12(13)11-21-7-9-22(10-8-21)15(24)14-5-6-20-23(14)16(18)19/h1-6,16H,7-11H2
InChIKeySIKKGZZPIZDNLQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.38
Rot. Bonds4

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

[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19479126) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19479126
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H17F3N4O/c17-13-4-2-1-3-12(13)11-21-7-9-22(10-8-21)15(24)14-5-6-20-23(14)16(18)19/h1-6,16H,7-11H2
InChIKeySIKKGZZPIZDNLQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19333506
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19479124
[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 138034005
[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4767757
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
2-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492258
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 19327362
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 19527457
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
(4-chloro-1-methylpyrazol-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279147

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19479126) is [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccnn1C(F)F)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is SIKKGZZPIZDNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-13-4-2-1-3-12(13)11-21-7-9-22(10-8-21)15(24)14-5-6-20-23(14)16(18)19/h1-6,16H,7-11H2.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 2.38, 4 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-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19479126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).