1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide

C21H21F2N3O — CID 78892567

IUPAC1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2c(F)cccc2F)cnn1Cc1ccccc1
InChIInChI=1S/C21H21F2N3O/c1-2-20-17(13-25-26(20)14-15-7-4-3-5-8-15)21(27)24-12-11-16-18(22)9-6-10-19(16)23/h3-10,13H,2,11-12,14H2,1H3,(H,24,27)
InChIKeyVDBARUUJCKLWPI-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.74
Rot. Bonds7

About 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78892567) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78892567
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2c(F)cccc2F)cnn1Cc1ccccc1
InChIInChI=1S/C21H21F2N3O/c1-2-20-17(13-25-26(20)14-15-7-4-3-5-8-15)21(27)24-12-11-16-18(22)9-6-10-19(16)23/h3-10,13H,2,11-12,14H2,1H3,(H,24,27)
InChIKeyVDBARUUJCKLWPI-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
CID 78872572

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide (CID 78892567) is 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCCc2c(F)cccc2F)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is VDBARUUJCKLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-2-20-17(13-25-26(20)14-15-7-4-3-5-8-15)21(27)24-12-11-16-18(22)9-6-10-19(16)23/h3-10,13H,2,11-12,14H2,1H3,(H,24,27).
What are the key properties of 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78892567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).