1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

C22H23F2N3O3 — CID 86951630

IUPAC1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1OC
InChIInChI=1S/C22H23F2N3O3/c1-5-30-20-10-15(6-9-19(20)29-4)12-25-22(28)21-13(2)26-27(14(21)3)18-8-7-16(23)11-17(18)24/h6-11H,5,12H2,1-4H3,(H,25,28)
InChIKeyPQEYOWXSGGQTCK-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.10
Rot. Bonds7

About 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 86951630) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID86951630
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1OC
InChIInChI=1S/C22H23F2N3O3/c1-5-30-20-10-15(6-9-19(20)29-4)12-25-22(28)21-13(2)26-27(14(21)3)18-8-7-16(23)11-17(18)24/h6-11H,5,12H2,1-4H3,(H,25,28)
InChIKeyPQEYOWXSGGQTCK-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-butoxyphenyl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55858559
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55639396
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
N-(3-benzylsulfonylpropyl)-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55857915
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805827
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110412991
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide
CID 96539273
1-(4-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858245
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961631
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]pyrazole-4-carboxamide
CID 55859051

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (CID 86951630) is 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is CCOc1cc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)ccc1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PQEYOWXSGGQTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-5-30-20-10-15(6-9-19(20)29-4)12-25-22(28)21-13(2)26-27(14(21)3)18-8-7-16(23)11-17(18)24/h6-11H,5,12H2,1-4H3,(H,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 86951630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).