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

C18H22Cl2N4O — CID 19536414

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-13-17(20)11-21-24(13)14(2)18(25)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyMQTIEIIKXINXAI-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19536414) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19536414
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-13-17(20)11-21-24(13)14(2)18(25)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyMQTIEIIKXINXAI-UHFFFAOYSA-N
XLogP3.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536413
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536294
1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propan-1-one
CID 19536638
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 19536495
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536674
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
2-(5-methyl-4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19574201
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 86903567
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one (CID 19536414) is 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is Cc1c(Cl)cnn1C(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is MQTIEIIKXINXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-13-17(20)11-21-24(13)14(2)18(25)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one?
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 381.31 g/mol, XLogP of 3.40, 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-chlorophenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).