N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide

C24H22N4O2 — CID 12018678

IUPACN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16-3-11-20(12-4-16)28-23(25)15-22(27-28)17-5-9-19(10-6-17)26-24(29)18-7-13-21(30-2)14-8-18/h3-15H,25H2,1-2H3,(H,26,29)
InChIKeyOWZOJVUTLCPANC-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.69
Rot. Bonds5

About N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide

N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide (PubChem CID 12018678) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
PubChem CID12018678
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16-3-11-20(12-4-16)28-23(25)15-22(27-28)17-5-9-19(10-6-17)26-24(29)18-7-13-21(30-2)14-8-18/h3-15H,25H2,1-2H3,(H,26,29)
InChIKeyOWZOJVUTLCPANC-UHFFFAOYSA-N
XLogP4.69
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
CID 44763648
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CID 46323807
4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 44763333
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
4-amino-N-(4-methoxyphenyl)-7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1493016
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
ethyl 1-(4-methoxyphenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094228
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide (CID 12018678) is N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide?
The InChIKey is OWZOJVUTLCPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-3-11-20(12-4-16)28-23(25)15-22(27-28)17-5-9-19(10-6-17)26-24(29)18-7-13-21(30-2)14-8-18/h3-15H,25H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide?
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide has a molecular weight of 398.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 12018678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).