N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide

C19H17F2N3O2 — CID 42879037

IUPACN-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccccc1OC
InChIInChI=1S/C19H17F2N3O2/c1-3-24-17(13-6-4-5-7-18(13)26-2)11-16(23-24)19(25)22-12-8-9-14(20)15(21)10-12/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyHDJFTIORZBSLGW-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.11
Rot. Bonds5

About N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide

N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 42879037) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID42879037
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccccc1OC
InChIInChI=1S/C19H17F2N3O2/c1-3-24-17(13-6-4-5-7-18(13)26-2)11-16(23-24)19(25)22-12-8-9-14(20)15(21)10-12/h4-11H,3H2,1-2H3,(H,22,25)
InChIKeyHDJFTIORZBSLGW-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086829
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-(3,4-difluorophenyl)-2-[[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34716978
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide (CID 42879037) is N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccccc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is HDJFTIORZBSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-3-24-17(13-6-4-5-7-18(13)26-2)11-16(23-24)19(25)22-12-8-9-14(20)15(21)10-12/h4-11H,3H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).