1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

C20H18ClF2N3O2 — CID 66725523

IUPAC1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H18ClF2N3O2/c1-12(2)28-18-7-6-14(21)10-13(18)11-26-9-8-17(25-26)20(27)24-19-15(22)4-3-5-16(19)23/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyZNUBFNSZTKOCOW-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.90
Rot. Bonds6

About 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 66725523) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
PubChem CID66725523
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H18ClF2N3O2/c1-12(2)28-18-7-6-14(21)10-13(18)11-26-9-8-17(25-26)20(27)24-19-15(22)4-3-5-16(19)23/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyZNUBFNSZTKOCOW-UHFFFAOYSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725563
1-[[2-(cyclobutylmethoxy)-5-(trifluoromethyl)phenyl]methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725296
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270311
2,6-dichloro-N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]benzamide
CID 59548021
1-[1-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]pyrazol-3-yl]-2-(2,6-difluorophenyl)ethanone
CID 58083539
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19274429
2-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)triazole-4-carboxamide
CID 58083506
1-[(3-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19276484
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19405876
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19270321
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19274639

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (CID 66725523) is 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is CC(C)Oc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is ZNUBFNSZTKOCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c1-12(2)28-18-7-6-14(21)10-13(18)11-26-9-8-17(25-26)20(27)24-19-15(22)4-3-5-16(19)23/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 405.83 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66725523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).