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

C29H24FN3O3 — CID 14277329

IUPAC4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H24FN3O3/c1-35-24-15-9-21(10-16-24)28-27(20-7-11-22(30)12-8-20)19-33(32-28)29(34)31-23-13-17-26(18-14-23)36-25-5-3-2-4-6-25/h2-18,27H,19H2,1H3,(H,31,34)
InChIKeyIWZUTYYHHOHVBN-UHFFFAOYSA-N
MW481.53 g/mol
LogP6.66
Rot. Bonds6

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

4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14277329) has the molecular formula C29H24FN3O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID14277329
Molecular FormulaC29H24FN3O3
Molecular Weight481.53 g/mol
Exact Mass481.18
IUPAC Name4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H24FN3O3/c1-35-24-15-9-21(10-16-24)28-27(20-7-11-22(30)12-8-20)19-33(32-28)29(34)31-23-13-17-26(18-14-23)36-25-5-3-2-4-6-25/h2-18,27H,19H2,1H3,(H,31,34)
InChIKeyIWZUTYYHHOHVBN-UHFFFAOYSA-N
XLogP6.66
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 14277329) is 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is COc1ccc(C2=NN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IWZUTYYHHOHVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O3/c1-35-24-15-9-21(10-16-24)28-27(20-7-11-22(30)12-8-20)19-33(32-28)29(34)31-23-13-17-26(18-14-23)36-25-5-3-2-4-6-25/h2-18,27H,19H2,1H3,(H,31,34).
What are the key properties of 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14277329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).