5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide

C28H31FN4O3 — CID 134149105

IUPAC5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)CCOc1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C28H31FN4O3/c1-32(2)17-19-36-25-14-8-22(9-15-25)28(16-18-34)20-26(21-6-4-3-5-7-21)31-33(28)27(35)30-24-12-10-23(29)11-13-24/h3-15,34H,16-20H2,1-2H3,(H,30,35)
InChIKeyOVMAUAKWDNZBTI-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.69
Rot. Bonds9

About 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide

5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134149105) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134149105
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)CCOc1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C28H31FN4O3/c1-32(2)17-19-36-25-14-8-22(9-15-25)28(16-18-34)20-26(21-6-4-3-5-7-21)31-33(28)27(35)30-24-12-10-23(29)11-13-24/h3-15,34H,16-20H2,1-2H3,(H,30,35)
InChIKeyOVMAUAKWDNZBTI-UHFFFAOYSA-N
XLogP4.69
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-[4-(2-methoxyethoxy)phenyl]-3-phenyl-4H-pyrazole-1-carboxamide
CID 134154056
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13191299
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13274990
4-[4-(difluoromethoxy)phenyl]-5-phenyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13367700
N,4-bis(4-fluorophenyl)-5-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14075849
4-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277329
N-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 14277351
N-[4-[4-(dimethylamino)phenoxy]phenyl]-4,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277374
4,5-bis(4-fluorophenyl)-N-[4-(4-propan-2-ylphenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277384
4-[formyl(2-methoxyethyl)amino]-5-(4-propoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980931
3-[(4-Fluorophenoxy)phenyl]-N,4-bis-(4-fluorophenyl)-4,5-dihydropyrazole-1-carboxamide
CID 19835787

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide (CID 134149105) is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide is CN(C)CCOc1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is OVMAUAKWDNZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-32(2)17-19-36-25-14-8-22(9-15-25)28(16-18-34)20-26(21-6-4-3-5-7-21)31-33(28)27(35)30-24-12-10-23(29)11-13-24/h3-15,34H,16-20H2,1-2H3,(H,30,35).
What are the key properties of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).