2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C16H19ClFN5O — CID 70851833

IUPAC2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1c(Cl)c(CF)nn1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19ClFN5O/c1-12-16(17)13(10-18)20-23(12)11-15(24)22-8-6-21(7-9-22)14-4-2-3-5-19-14/h2-5H,6-11H2,1H3
InChIKeyQQKIHDQSFWOYTR-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 70851833) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID70851833
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC Name2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1c(Cl)c(CF)nn1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19ClFN5O/c1-12-16(17)13(10-18)20-23(12)11-15(24)22-8-6-21(7-9-22)14-4-2-3-5-19-14/h2-5H,6-11H2,1H3
InChIKeyQQKIHDQSFWOYTR-UHFFFAOYSA-N
XLogP2.06
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 823264
[4-(4-Fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 2528622
4-Methyl-2-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]-1,2,4-triazine-3,5-dione
CID 10736912
1-[4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 44251337
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
CID 21071057
N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147756
N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147767
N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45154065
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one
CID 46987426
2-(1H-pyrazol-1-yl)-1-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanone
CID 49720390
1-(6-Piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51082016
2-(1,3-Dimethylpyrazolo[4,3-c]pyrazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52105498

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 70851833) is 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1c(Cl)c(CF)nn1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QQKIHDQSFWOYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O/c1-12-16(17)13(10-18)20-23(12)11-15(24)22-8-6-21(7-9-22)14-4-2-3-5-19-14/h2-5H,6-11H2,1H3.
What are the key properties of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 351.81 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70851833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).