2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

C20H26ClN5O2 — CID 49193203

IUPAC2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H26ClN5O2/c1-3-24(4-2)19(27)15-23-9-11-25(12-10-23)20(28)16-13-22-26(14-16)18-8-6-5-7-17(18)21/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyKLGFRTPCWABRMQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.15
Rot. Bonds6

About 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 49193203) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID49193203
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H26ClN5O2/c1-3-24(4-2)19(27)15-23-9-11-25(12-10-23)20(28)16-13-22-26(14-16)18-8-6-5-7-17(18)21/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyKLGFRTPCWABRMQ-UHFFFAOYSA-N
XLogP2.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429744
1-(2-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
CID 111596778
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447163
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 112820675
2-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 136576533
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55447068
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (CID 49193203) is 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is KLGFRTPCWABRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-3-24(4-2)19(27)15-23-9-11-25(12-10-23)20(28)16-13-22-26(14-16)18-8-6-5-7-17(18)21/h5-8,13-14H,3-4,9-12,15H2,1-2H3.
What are the key properties of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 403.91 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 49193203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).