3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide

C19H16F3N3O — CID 46105471

IUPAC3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H16F3N3O/c1-2-25-18(19(26)23-11-13-5-3-4-6-14(13)20)10-17(24-25)12-7-8-15(21)16(22)9-12/h3-10H,2,11H2,1H3,(H,23,26)
InChIKeyYSRMEDWGODOSHT-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.92
Rot. Bonds5

About 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide

3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide (PubChem CID 46105471) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
PubChem CID46105471
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H16F3N3O/c1-2-25-18(19(26)23-11-13-5-3-4-6-14(13)20)10-17(24-25)12-7-8-15(21)16(22)9-12/h3-10H,2,11H2,1H3,(H,23,26)
InChIKeyYSRMEDWGODOSHT-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 46105464
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
CID 42879207
1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 46105456
3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide
CID 46105469
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104803
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886591
1-ethyl-3-(4-fluorophenyl)-N-(trifluoromethyl)pyrazole-5-carboxamide
CID 174832324
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
1-ethyl-N-[(2-fluorophenyl)methyl]-4-nitropyrazole-5-carboxamide
CID 1224594
2-ethyl-N-[(2-fluorophenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790851

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide (CID 46105471) is 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide is CCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is YSRMEDWGODOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-2-25-18(19(26)23-11-13-5-3-4-6-14(13)20)10-17(24-25)12-7-8-15(21)16(22)9-12/h3-10H,2,11H2,1H3,(H,23,26).
What are the key properties of 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46105471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).