N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C24H24Cl2N4O2 — CID 24509873

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-16-5-2-3-7-19(16)24(32)29-13-10-17(11-14-29)23(31)28-21-9-12-27-30(21)15-18-6-4-8-20(25)22(18)26/h2-9,12,17H,10-11,13-15H2,1H3,(H,28,31)
InChIKeyXBJAZUMYDIDRII-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.04
Rot. Bonds5

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 24509873) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID24509873
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-16-5-2-3-7-19(16)24(32)29-13-10-17(11-14-29)23(31)28-21-9-12-27-30(21)15-18-6-4-8-20(25)22(18)26/h2-9,12,17H,10-11,13-15H2,1H3,(H,28,31)
InChIKeyXBJAZUMYDIDRII-UHFFFAOYSA-N
XLogP5.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119696113
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 24509873) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is XBJAZUMYDIDRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-16-5-2-3-7-19(16)24(32)29-13-10-17(11-14-29)23(31)28-21-9-12-27-30(21)15-18-6-4-8-20(25)22(18)26/h2-9,12,17H,10-11,13-15H2,1H3,(H,28,31).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 24509873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).