N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C25H22N4O2 — CID 31858323

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17-7-13-21(14-8-17)29-16-22(24(28-29)19-5-3-2-4-6-19)25(31)27-20-11-9-18(10-12-20)15-23(26)30/h2-14,16H,15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyBWRBPKAIWZWGPY-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 31858323) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID31858323
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17-7-13-21(14-8-17)29-16-22(24(28-29)19-5-3-2-4-6-19)25(31)27-20-11-9-18(10-12-20)15-23(26)30/h2-14,16H,15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyBWRBPKAIWZWGPY-UHFFFAOYSA-N
XLogP4.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 31858323) is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is BWRBPKAIWZWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-7-13-21(14-8-17)29-16-22(24(28-29)19-5-3-2-4-6-19)25(31)27-20-11-9-18(10-12-20)15-23(26)30/h2-14,16H,15H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 31858323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).