N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide

C26H22ClN5O3 — CID 55815124

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H22ClN5O3/c27-20-12-10-18(11-13-20)22-14-23(32(31-22)21-4-2-1-3-5-21)26(35)29-15-17-6-8-19(9-7-17)25(34)30-16-24(28)33/h1-14H,15-16H2,(H2,28,33)(H,29,35)(H,30,34)
InChIKeyYRJULQPLLNDZJJ-UHFFFAOYSA-N
MW487.95 g/mol
LogP3.34
Rot. Bonds8

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 55815124) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID55815124
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H22ClN5O3/c27-20-12-10-18(11-13-20)22-14-23(32(31-22)21-4-2-1-3-5-21)26(35)29-15-17-6-8-19(9-7-17)25(34)30-16-24(28)33/h1-14H,15-16H2,(H2,28,33)(H,29,35)(H,30,34)
InChIKeyYRJULQPLLNDZJJ-UHFFFAOYSA-N
XLogP3.34
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
CID 46529777
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 9115824
3-[[4-[[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]amino]benzoyl]amino]propanoic acid
CID 166202136
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
[2-(4-chlorophenyl)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2400676
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 60516632
3-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 60604816
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide (CID 55815124) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is YRJULQPLLNDZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c27-20-12-10-18(11-13-20)22-14-23(32(31-22)21-4-2-1-3-5-21)26(35)29-15-17-6-8-19(9-7-17)25(34)30-16-24(28)33/h1-14H,15-16H2,(H2,28,33)(H,29,35)(H,30,34).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 487.95 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55815124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).