N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C25H20N4O2 — CID 60578238

IUPACN-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C25H20N4O2/c1-17-14-22(31-21-10-8-19(15-26)9-11-21)12-13-24(17)28-25(30)23-16-27-29(18(23)2)20-6-4-3-5-7-20/h3-14,16H,1-2H3,(H,28,30)
InChIKeyYXIKIKGZWNNCMY-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.41
Rot. Bonds5

About N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 60578238) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID60578238
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C25H20N4O2/c1-17-14-22(31-21-10-8-19(15-26)9-11-21)12-13-24(17)28-25(30)23-16-27-29(18(23)2)20-6-4-3-5-7-20/h3-14,16H,1-2H3,(H,28,30)
InChIKeyYXIKIKGZWNNCMY-UHFFFAOYSA-N
XLogP5.41
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
CID 25395657
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112830947
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
2-chloro-N-[4-(4-cyanophenoxy)-2-methylphenyl]-4-nitrobenzamide
CID 60578060
N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60578349
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 60578238) is N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YXIKIKGZWNNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-14-22(31-21-10-8-19(15-26)9-11-21)12-13-24(17)28-25(30)23-16-27-29(18(23)2)20-6-4-3-5-7-20/h3-14,16H,1-2H3,(H,28,30).
What are the key properties of N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60578238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).