1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide

C25H22F2N4O3 — CID 55679313

IUPAC1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)cn1
InChIInChI=1S/C25H22F2N4O3/c1-14-5-9-21(22(11-14)33-4)34-23-10-7-18(13-28-23)29-25(32)24-15(2)30-31(16(24)3)20-8-6-17(26)12-19(20)27/h5-13H,1-4H3,(H,29,32)
InChIKeyDVHDJMVHEQVQGG-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.52
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55679313) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID55679313
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC Name1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)cn1
InChIInChI=1S/C25H22F2N4O3/c1-14-5-9-21(22(11-14)33-4)34-23-10-7-18(13-28-23)29-25(32)24-15(2)30-31(16(24)3)20-8-6-17(26)12-19(20)27/h5-13H,1-4H3,(H,29,32)
InChIKeyDVHDJMVHEQVQGG-UHFFFAOYSA-N
XLogP5.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
N-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55638721
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961631
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86951630
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
ethyl (E)-3-[4-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoate
CID 55638881
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazole-4-carboxamide
CID 55968654
2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55930463
1-(2,4-difluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86974256
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
1-(2,4-difluorophenyl)-3,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrazole-4-carboxamide
CID 55639493

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide (CID 55679313) is 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)cn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is DVHDJMVHEQVQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-14-5-9-21(22(11-14)33-4)34-23-10-7-18(13-28-23)29-25(32)24-15(2)30-31(16(24)3)20-8-6-17(26)12-19(20)27/h5-13H,1-4H3,(H,29,32).
What are the key properties of 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).