5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C29H25N3O3 — CID 14277338

IUPAC5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3/c1-34-24-16-12-22(13-17-24)28-27(21-8-4-2-5-9-21)20-32(31-28)29(33)30-23-14-18-26(19-15-23)35-25-10-6-3-7-11-25/h2-19,27H,20H2,1H3,(H,30,33)
InChIKeyKNXXLEZQMOOTQT-UHFFFAOYSA-N
MW463.54 g/mol
LogP6.52
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14277338) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID14277338
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3/c1-34-24-16-12-22(13-17-24)28-27(21-8-4-2-5-9-21)20-32(31-28)29(33)30-23-14-18-26(19-15-23)35-25-10-6-3-7-11-25/h2-19,27H,20H2,1H3,(H,30,33)
InChIKeyKNXXLEZQMOOTQT-UHFFFAOYSA-N
XLogP6.52
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18987670
(4S)-5-(4-methoxyphenyl)-4-(1-phenylethyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 70610301
N-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-5-yl)-4,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294641
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylsulfanylphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 45036589
N,4-bis(4-chlorophenyl)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14075830
N-[4-(4-chlorophenoxy)phenyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 21294628
5-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294705

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 14277338) is 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is COc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KNXXLEZQMOOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c1-34-24-16-12-22(13-17-24)28-27(21-8-4-2-5-9-21)20-32(31-28)29(33)30-23-14-18-26(19-15-23)35-25-10-6-3-7-11-25/h2-19,27H,20H2,1H3,(H,30,33).
What are the key properties of 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14277338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).