N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C25H23N3O3 — CID 137250541

IUPACN-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2ccc(OC)cc2O)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-26-25(30)24-22(18-11-9-17(10-12-18)16-7-5-4-6-8-16)23(27-28-24)20-14-13-19(31-2)15-21(20)29/h4-15,29H,3H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVPMGERKBDGBVFT-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.87
Rot. Bonds6

About N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 137250541) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID137250541
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2ccc(OC)cc2O)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-26-25(30)24-22(18-11-9-17(10-12-18)16-7-5-4-6-8-16)23(27-28-24)20-14-13-19(31-2)15-21(20)29/h4-15,29H,3H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVPMGERKBDGBVFT-UHFFFAOYSA-N
XLogP4.87
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 137250541) is N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]nc(-c2ccc(OC)cc2O)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VPMGERKBDGBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-26-25(30)24-22(18-11-9-17(10-12-18)16-7-5-4-6-8-16)23(27-28-24)20-14-13-19(31-2)15-21(20)29/h4-15,29H,3H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-hydroxy-4-methoxyphenyl)-4-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137250541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).