N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

C21H21F2N3O5 — CID 19277201

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1OCn1ccc(C(=O)Nc2ccc(OC(F)F)cc2C)n1
InChIInChI=1S/C21H21F2N3O5/c1-13-11-14(31-21(22)23)7-8-15(13)24-20(27)16-9-10-26(25-16)12-30-19-17(28-2)5-4-6-18(19)29-3/h4-11,21H,12H2,1-3H3,(H,24,27)
InChIKeyVCUVWKAMUWVPQH-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.10
Rot. Bonds9

About N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277201) has the molecular formula C21H21F2N3O5 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19277201
Molecular FormulaC21H21F2N3O5
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1OCn1ccc(C(=O)Nc2ccc(OC(F)F)cc2C)n1
InChIInChI=1S/C21H21F2N3O5/c1-13-11-14(31-21(22)23)7-8-15(13)24-20(27)16-9-10-26(25-16)12-30-19-17(28-2)5-4-6-18(19)29-3/h4-11,21H,12H2,1-3H3,(H,24,27)
InChIKeyVCUVWKAMUWVPQH-UHFFFAOYSA-N
XLogP4.10
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
CID 19269681
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19277139
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277262
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
1-[(2,6-dimethoxyphenoxy)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
CID 19277075
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19272389
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276336
ethyl 2-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19277112
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277281
diethyl 5-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19277062

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19277201) is N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide is COc1cccc(OC)c1OCn1ccc(C(=O)Nc2ccc(OC(F)F)cc2C)n1.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is VCUVWKAMUWVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5/c1-13-11-14(31-21(22)23)7-8-15(13)24-20(27)16-9-10-26(25-16)12-30-19-17(28-2)5-4-6-18(19)29-3/h4-11,21H,12H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).