2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide

C25H27F4N3O4 — CID 19532283

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide
SMILESCCOc1ccc(COc2ccc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cc2)cc1OCC
InChIInChI=1S/C25H27F4N3O4/c1-4-34-21-11-6-16(12-22(21)35-5-2)14-36-18-9-7-17(8-10-18)30-25(33)15(3)32-20(24(28)29)13-19(31-32)23(26)27/h6-13,15,23-24H,4-5,14H2,1-3H3,(H,30,33)
InChIKeyHNHYJXIQVVEWJZ-UHFFFAOYSA-N
MW509.50 g/mol
LogP6.33
Rot. Bonds12

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide (PubChem CID 19532283) has the molecular formula C25H27F4N3O4 and a molecular weight of 509.50 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide
PubChem CID19532283
Molecular FormulaC25H27F4N3O4
Molecular Weight509.50 g/mol
Exact Mass509.19
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide
SMILESCCOc1ccc(COc2ccc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cc2)cc1OCC
InChIInChI=1S/C25H27F4N3O4/c1-4-34-21-11-6-16(12-22(21)35-5-2)14-36-18-9-7-17(8-10-18)30-25(33)15(3)32-20(24(28)29)13-19(31-32)23(26)27/h6-13,15,23-24H,4-5,14H2,1-3H3,(H,30,33)
InChIKeyHNHYJXIQVVEWJZ-UHFFFAOYSA-N
XLogP6.33
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534800
2-[3-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504250
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508271
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263994
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 19535701
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
CID 19518208
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
CID 19532167
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide (CID 19532283) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide is CCOc1ccc(COc2ccc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cc2)cc1OCC.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide?
The InChIKey is HNHYJXIQVVEWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O4/c1-4-34-21-11-6-16(12-22(21)35-5-2)14-36-18-9-7-17(8-10-18)30-25(33)15(3)32-20(24(28)29)13-19(31-32)23(26)27/h6-13,15,23-24H,4-5,14H2,1-3H3,(H,30,33).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide has a molecular weight of 509.50 g/mol, XLogP of 6.33, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 19532283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).