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

C24H26ClN5O2 — CID 16613492

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H26ClN5O2/c25-22-9-5-4-6-18(22)15-30-16-19(14-26-30)24(32)28-21-10-12-29(13-11-21)17-23(31)27-20-7-2-1-3-8-20/h1-9,14,16,21H,10-13,15,17H2,(H,27,31)(H,28,32)
InChIKeyNEBCBBCMEHBDPX-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.42
Rot. Bonds7

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

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16613492) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16613492
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H26ClN5O2/c25-22-9-5-4-6-18(22)15-30-16-19(14-26-30)24(32)28-21-10-12-29(13-11-21)17-23(31)27-20-7-2-1-3-8-20/h1-9,14,16,21H,10-13,15,17H2,(H,27,31)(H,28,32)
InChIKeyNEBCBBCMEHBDPX-UHFFFAOYSA-N
XLogP3.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 167978791
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39857745
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (CID 16613492) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is O=C(CN1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NEBCBBCMEHBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-22-9-5-4-6-18(22)15-30-16-19(14-26-30)24(32)28-21-10-12-29(13-11-21)17-23(31)27-20-7-2-1-3-8-20/h1-9,14,16,21H,10-13,15,17H2,(H,27,31)(H,28,32).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16613492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).