2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one

C18H21ClF2N4O — CID 19536413

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C18H21ClF2N4O/c1-12-15(19)10-22-25(12)13(2)18(26)24-8-6-23(7-9-24)11-14-4-3-5-16(20)17(14)21/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyWUBYQEVDVASONQ-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one

2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19536413) has the molecular formula C18H21ClF2N4O and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19536413
Molecular FormulaC18H21ClF2N4O
Molecular Weight382.84 g/mol
Exact Mass382.14
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C18H21ClF2N4O/c1-12-15(19)10-22-25(12)13(2)18(26)24-8-6-23(7-9-24)11-14-4-3-5-16(20)17(14)21/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyWUBYQEVDVASONQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536414
1-[1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504984
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(3-methylpyrazol-1-yl)propan-1-one
CID 19536460
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 19536495
1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536638
(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514719
2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536674
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(4-chloropyrazol-1-yl)propan-1-one
CID 19536591
4-[4-[(2,3-difluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylic acid
CID 19496196
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one (CID 19536413) is 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one is Cc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is WUBYQEVDVASONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N4O/c1-12-15(19)10-22-25(12)13(2)18(26)24-8-6-23(7-9-24)11-14-4-3-5-16(20)17(14)21/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one?
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 382.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).