N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

C28H27F2N3O5 — CID 19514297

IUPACN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)n[nH]3)cc2)cc1OCC
InChIInChI=1S/C28H27F2N3O5/c1-3-35-25-14-5-18(15-26(25)36-4-2)17-37-21-12-8-20(9-13-21)31-27(34)24-16-23(32-33-24)19-6-10-22(11-7-19)38-28(29)30/h5-16,28H,3-4,17H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyIWONGOAAENJPHI-UHFFFAOYSA-N
MW523.54 g/mol
LogP6.31
Rot. Bonds12

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19514297) has the molecular formula C28H27F2N3O5 and a molecular weight of 523.54 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19514297
Molecular FormulaC28H27F2N3O5
Molecular Weight523.54 g/mol
Exact Mass523.19
IUPAC NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)n[nH]3)cc2)cc1OCC
InChIInChI=1S/C28H27F2N3O5/c1-3-35-25-14-5-18(15-26(25)36-4-2)17-37-21-12-8-20(9-13-21)31-27(34)24-16-23(32-33-24)19-6-10-22(11-7-19)38-28(29)30/h5-16,28H,3-4,17H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyIWONGOAAENJPHI-UHFFFAOYSA-N
XLogP6.31
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508271
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509842
4,5-dibromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide
CID 19508579
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19514297) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is CCOc1ccc(COc2ccc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)n[nH]3)cc2)cc1OCC.
What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IWONGOAAENJPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O5/c1-3-35-25-14-5-18(15-26(25)36-4-2)17-37-21-12-8-20(9-13-21)31-27(34)24-16-23(32-33-24)19-6-10-22(11-7-19)38-28(29)30/h5-16,28H,3-4,17H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 6.31, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).