N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

C23H24ClN5O2 — CID 167978791

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24ClN5O2/c24-19-9-5-4-8-18(19)20-14-21(28-27-20)23(31)26-17-10-12-29(13-11-17)15-22(30)25-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyFBSJMBNEPYSITQ-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 167978791) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID167978791
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24ClN5O2/c24-19-9-5-4-8-18(19)20-14-21(28-27-20)23(31)26-17-10-12-29(13-11-17)15-22(30)25-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyFBSJMBNEPYSITQ-UHFFFAOYSA-N
XLogP3.56
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 16613492
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39857745
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 167978791) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(CN1CCC(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FBSJMBNEPYSITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-19-9-5-4-8-18(19)20-14-21(28-27-20)23(31)26-17-10-12-29(13-11-17)15-22(30)25-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167978791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).