1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide

C20H19F2N3O2 — CID 78889307

IUPAC1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC(F)F)c2)cnn1Cc1ccccc1
InChIInChI=1S/C20H19F2N3O2/c1-2-18-17(12-23-25(18)13-14-7-4-3-5-8-14)19(26)24-15-9-6-10-16(11-15)27-20(21)22/h3-12,20H,2,13H2,1H3,(H,24,26)
InChIKeyOYYVZTNWIGLXMP-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.35
Rot. Bonds7

About 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78889307) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78889307
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC(F)F)c2)cnn1Cc1ccccc1
InChIInChI=1S/C20H19F2N3O2/c1-2-18-17(12-23-25(18)13-14-7-4-3-5-8-14)19(26)24-15-9-6-10-16(11-15)27-20(21)22/h3-12,20H,2,13H2,1H3,(H,24,26)
InChIKeyOYYVZTNWIGLXMP-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
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-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide (CID 78889307) is 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(OC(F)F)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is OYYVZTNWIGLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-2-18-17(12-23-25(18)13-14-7-4-3-5-8-14)19(26)24-15-9-6-10-16(11-15)27-20(21)22/h3-12,20H,2,13H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78889307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).