4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

C18H20Cl2N4O2 — CID 58501626

IUPAC4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2CC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-24-7-5-12(6-8-24)22-18(26)17-11(10-21-23-17)9-15(25)16-13(19)3-2-4-14(16)20/h2-4,10,12H,5-9H2,1H3,(H,21,23)(H,22,26)
InChIKeyWZZKUIQLDPEREJ-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.97
Rot. Bonds5

About 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 58501626) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID58501626
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2CC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-24-7-5-12(6-8-24)22-18(26)17-11(10-21-23-17)9-15(25)16-13(19)3-2-4-14(16)20/h2-4,10,12H,5-9H2,1H3,(H,21,23)(H,22,26)
InChIKeyWZZKUIQLDPEREJ-UHFFFAOYSA-N
XLogP2.97
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]methyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid
CID 158406978
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
methyl (2S)-2-[[[4-[[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 161027484
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862673
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-3,3-dimethylbutanoic acid
CID 175068549
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862729
4-[(2-bromo-6-chlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862708

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (CID 58501626) is 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)c2[nH]ncc2CC(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WZZKUIQLDPEREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-24-7-5-12(6-8-24)22-18(26)17-11(10-21-23-17)9-15(25)16-13(19)3-2-4-14(16)20/h2-4,10,12H,5-9H2,1H3,(H,21,23)(H,22,26).
What are the key properties of 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58501626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).