2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide

C21H27Cl2N5O2 — CID 134014564

IUPAC2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1
InChIInChI=1S/C21H27Cl2N5O2/c1-3-8-24-18(29)14-26-9-11-27(12-10-26)21(30)19-15(2)25-28(20(19)23)13-16-6-4-5-7-17(16)22/h4-7H,3,8-14H2,1-2H3,(H,24,29)
InChIKeyFZMHENVMLLFYAQ-UHFFFAOYSA-N
MW452.39 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 134014564) has the molecular formula C21H27Cl2N5O2 and a molecular weight of 452.39 g/mol. Its IUPAC name is 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID134014564
Molecular FormulaC21H27Cl2N5O2
Molecular Weight452.39 g/mol
Exact Mass451.15
IUPAC Name2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1
InChIInChI=1S/C21H27Cl2N5O2/c1-3-8-24-18(29)14-26-9-11-27(12-10-26)21(30)19-15(2)25-28(20(19)23)13-16-6-4-5-7-17(16)22/h4-7H,3,8-14H2,1-2H3,(H,24,29)
InChIKeyFZMHENVMLLFYAQ-UHFFFAOYSA-N
XLogP2.83
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447163
2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 134041915
[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 34580387
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
[4-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31363148
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 60550122
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 95851460
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78827736
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 134014564) is 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is FZMHENVMLLFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N5O2/c1-3-8-24-18(29)14-26-9-11-27(12-10-26)21(30)19-15(2)25-28(20(19)23)13-16-6-4-5-7-17(16)22/h4-7H,3,8-14H2,1-2H3,(H,24,29).
What are the key properties of 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 452.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).