(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one

C18H23ClN4O — CID 95895449

IUPAC(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1cccc(CN2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c1
InChIInChI=1S/C18H23ClN4O/c1-14-4-3-5-16(10-14)12-21-6-8-22(9-7-21)18(24)15(2)23-13-17(19)11-20-23/h3-5,10-11,13,15H,6-9,12H2,1-2H3/t15-/m1/s1
InChIKeyXZPGXQUFDVGSQS-OAHLLOKOSA-N
MW346.86 g/mol
LogP2.75
Rot. Bonds4

About (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one

(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 95895449) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID95895449
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1cccc(CN2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c1
InChIInChI=1S/C18H23ClN4O/c1-14-4-3-5-16(10-14)12-21-6-8-22(9-7-21)18(24)15(2)23-13-17(19)11-20-23/h3-5,10-11,13,15H,6-9,12H2,1-2H3/t15-/m1/s1
InChIKeyXZPGXQUFDVGSQS-OAHLLOKOSA-N
XLogP2.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536443
(2S)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94042818
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 56811628
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(4-chloropyrazol-1-yl)propan-1-one
CID 19536591
2-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19504666
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536370
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536444
3-(4-chloropyrazol-1-yl)-1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 19540384
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 19536190
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539
(2S)-2-(4-chloropyrazol-1-yl)-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 125177047
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 95895449) is (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one is Cc1cccc(CN2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c1.
What is the InChIKey of (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is XZPGXQUFDVGSQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-14-4-3-5-16(10-14)12-21-6-8-22(9-7-21)18(24)15(2)23-13-17(19)11-20-23/h3-5,10-11,13,15H,6-9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 346.86 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95895449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).