(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide

C18H21Cl2N5O2 — CID 30344936

IUPAC(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21Cl2N5O2/c1-11-14(16(20)23(2)22-11)18(27)25-9-7-24(8-10-25)15(17(21)26)12-3-5-13(19)6-4-12/h3-6,15H,7-10H2,1-2H3,(H2,21,26)/t15-/m1/s1
InChIKeyYSMNRLBHZMQWFV-OAHLLOKOSA-N
MW410.31 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide

(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 30344936) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
PubChem CID30344936
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21Cl2N5O2/c1-11-14(16(20)23(2)22-11)18(27)25-9-7-24(8-10-25)15(17(21)26)12-3-5-13(19)6-4-12/h3-6,15H,7-10H2,1-2H3,(H2,21,26)/t15-/m1/s1
InChIKeyYSMNRLBHZMQWFV-OAHLLOKOSA-N
XLogP2.02
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
(5-chloro-1,3-dimethylpyrazol-4-yl)-[(4S)-4-methylazepan-1-yl]methanone
CID 95591224
5-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylic acid
CID 75417967
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134003958
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(3-tert-butyl-1-methylpyrazol-5-yl)methanone
CID 46705012
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 102563458
(5-chloro-1,3-dimethylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30455819
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
methyl 2-(4-chlorophenyl)-2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]acetate
CID 43070843
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide (CID 30344936) is (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide is Cc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is YSMNRLBHZMQWFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2/c1-11-14(16(20)23(2)22-11)18(27)25-9-7-24(8-10-25)15(17(21)26)12-3-5-13(19)6-4-12/h3-6,15H,7-10H2,1-2H3,(H2,21,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
(2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 410.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 30344936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).