4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide

C23H21N3O2 — CID 2952426

IUPAC4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27)
InChIKeyYZYIYCQWTJRWLV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.15
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide

4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide (PubChem CID 2952426) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
PubChem CID2952426
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27)
InChIKeyYZYIYCQWTJRWLV-UHFFFAOYSA-N
XLogP4.15
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
4-(5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-YL)-benzoic acid
CID 5181298
(5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647040
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
3-[4-[[2-[(4-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352035
[4-[5-Tert-butyl-3-(3,5-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164622052
4-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 4609705
N-{4-[1-benzoyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 5156992
2-(2-fluorophenyl)-5-{[4-(methoxy)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 52914154
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (4-methoxy-benzylidene)-hydrazide
CID 5331402
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
4-methoxy-N-(4-{[(2-phenylethyl)amino]carbonyl}phenyl)benzamide
CID 1300135

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide (CID 2952426) is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
The InChIKey is YZYIYCQWTJRWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide?
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide is sourced from PubChem (CID 2952426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).