N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide

C25H23N3O4 — CID 60509217

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(O)c(OC)c3)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-31-20-11-9-18(10-12-20)22-15-21(27-28(22)19-6-4-3-5-7-19)25(30)26-16-17-8-13-23(29)24(14-17)32-2/h3-15,29H,16H2,1-2H3,(H,26,30)
InChIKeyPJCKEVJQBIEJNR-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.19
Rot. Bonds7

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 60509217) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID60509217
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(O)c(OC)c3)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-31-20-11-9-18(10-12-20)22-15-21(27-28(22)19-6-4-3-5-7-19)25(30)26-16-17-8-13-23(29)24(14-17)32-2/h3-15,29H,16H2,1-2H3,(H,26,30)
InChIKeyPJCKEVJQBIEJNR-UHFFFAOYSA-N
XLogP4.19
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 155947371
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide (CID 60509217) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(O)c(OC)c3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is PJCKEVJQBIEJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-20-11-9-18(10-12-20)22-15-21(27-28(22)19-6-4-3-5-7-19)25(30)26-16-17-8-13-23(29)24(14-17)32-2/h3-15,29H,16H2,1-2H3,(H,26,30).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 60509217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).