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

C21H20Cl2N4O3 — CID 46568216

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H20Cl2N4O3/c22-17-4-3-14(18(23)10-17)12-27-19(5-7-24-27)25-20(28)15-2-1-8-26(11-15)21(29)16-6-9-30-13-16/h3-7,9-10,13,15H,1-2,8,11-12H2,(H,25,28)
InChIKeySDOJPMDKFVRIQH-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.32
Rot. Bonds5

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

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 46568216) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID46568216
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H20Cl2N4O3/c22-17-4-3-14(18(23)10-17)12-27-19(5-7-24-27)25-20(28)15-2-1-8-26(11-15)21(29)16-6-9-30-13-16/h3-7,9-10,13,15H,1-2,8,11-12H2,(H,25,28)
InChIKeySDOJPMDKFVRIQH-UHFFFAOYSA-N
XLogP4.32
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46451461
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
CID 43056968
ethyl (3S)-3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 39991255
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47995274
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55870918
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 46568216) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is SDOJPMDKFVRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c22-17-4-3-14(18(23)10-17)12-27-19(5-7-24-27)25-20(28)15-2-1-8-26(11-15)21(29)16-6-9-30-13-16/h3-7,9-10,13,15H,1-2,8,11-12H2,(H,25,28).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46568216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).