4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

C17H16N4O2 — CID 46231473

IUPAC4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)c(N)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-10-15(16(18)20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,1H3,(H2,18,20)(H2,19,22)
InChIKeyRASOBZOYDVIHOU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.23
Rot. Bonds4

About 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (PubChem CID 46231473) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
PubChem CID46231473
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)c(N)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-10-15(16(18)20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,1H3,(H2,18,20)(H2,19,22)
InChIKeyRASOBZOYDVIHOU-UHFFFAOYSA-N
XLogP2.23
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-((2-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 164617289
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
5-amino-N'-[(3-methoxyphenyl)methylene]-1-phenyl-1H-pyrazole-4-carbohydrazide
CID 9583771
Methyl 5-amino-1-(4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
CID 16033230
1-(4-methoxyphenyl)-3-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 44402216
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
CID 46231477
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
CID 46231532

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (CID 46231473) is 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is COc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)c(N)n2)cc1.
What is the InChIKey of 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The InChIKey is RASOBZOYDVIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-10-15(16(18)20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,1H3,(H2,18,20)(H2,19,22).
What are the key properties of 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 46231473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).