5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide

C21H20ClF2N3O2 — CID 155311041

IUPAC5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2c(C)nn(-c3ccc(OC)cc3)c2Cl)c1
InChIInChI=1S/C21H20ClF2N3O2/c1-4-21(23,24)14-6-5-7-15(12-14)25-20(28)18-13(2)26-27(19(18)22)16-8-10-17(29-3)11-9-16/h5-12H,4H2,1-3H3,(H,25,28)
InChIKeyWFQVFHZYOIREAD-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.60
Rot. Bonds6

About 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 155311041) has the molecular formula C21H20ClF2N3O2 and a molecular weight of 419.86 g/mol. Its IUPAC name is 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID155311041
Molecular FormulaC21H20ClF2N3O2
Molecular Weight419.86 g/mol
Exact Mass419.12
IUPAC Name5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2c(C)nn(-c3ccc(OC)cc3)c2Cl)c1
InChIInChI=1S/C21H20ClF2N3O2/c1-4-21(23,24)14-6-5-7-15(12-14)25-20(28)18-13(2)26-27(19(18)22)16-8-10-17(29-3)11-9-16/h5-12H,4H2,1-3H3,(H,25,28)
InChIKeyWFQVFHZYOIREAD-UHFFFAOYSA-N
XLogP5.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 2161257
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 2243676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 155311041) is 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)c2c(C)nn(-c3ccc(OC)cc3)c2Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is WFQVFHZYOIREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O2/c1-4-21(23,24)14-6-5-7-15(12-14)25-20(28)18-13(2)26-27(19(18)22)16-8-10-17(29-3)11-9-16/h5-12H,4H2,1-3H3,(H,25,28).
What are the key properties of 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 419.86 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155311041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).