N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride

C22H22Cl3N4O- — CID 53347568

IUPACN-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
SMILESCc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3Cl)c2C2CCNCC2)cc1.[Cl-]
InChIInChI=1S/C22H22Cl2N4O.ClH/c1-14-2-5-17(6-3-14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-20-12-16(23)4-7-19(20)24;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H/p-1
InChIKeyHDOAAWDFWIZWKL-UHFFFAOYSA-M
MW464.80 g/mol
LogP2.21
Rot. Bonds4

About N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride

N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride (PubChem CID 53347568) has the molecular formula C22H22Cl3N4O- and a molecular weight of 464.80 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
PubChem CID53347568
Molecular FormulaC22H22Cl3N4O-
Molecular Weight464.80 g/mol
Exact Mass463.09
IUPAC NameN-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
SMILESCc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3Cl)c2C2CCNCC2)cc1.[Cl-]
InChIInChI=1S/C22H22Cl2N4O.ClH/c1-14-2-5-17(6-3-14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-20-12-16(23)4-7-19(20)24;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H/p-1
InChIKeyHDOAAWDFWIZWKL-UHFFFAOYSA-M
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.80
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 46280275
N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051701
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146059779
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride (CID 53347568) is N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride is Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3Cl)c2C2CCNCC2)cc1.[Cl-].
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride?
The InChIKey is HDOAAWDFWIZWKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22Cl2N4O.ClH/c1-14-2-5-17(6-3-14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-20-12-16(23)4-7-19(20)24;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H/p-1.
What are the key properties of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride?
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride has a molecular weight of 464.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride is sourced from PubChem (CID 53347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).