3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C21H22FN3O3 — CID 19336383

IUPAC3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1OCC
InChIInChI=1S/C21H22FN3O3/c1-3-27-19-9-8-16(11-20(19)28-4-2)21(26)24-18-12-23-25(14-18)13-15-6-5-7-17(22)10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyASUMDXQSAZOJLP-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.12
Rot. Bonds8

About 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19336383) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19336383
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1OCC
InChIInChI=1S/C21H22FN3O3/c1-3-27-19-9-8-16(11-20(19)28-4-2)21(26)24-18-12-23-25(14-18)13-15-6-5-7-17(22)10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyASUMDXQSAZOJLP-UHFFFAOYSA-N
XLogP4.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336496
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19338461
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19338598
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
CID 46951892
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19336383) is 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is ASUMDXQSAZOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-27-19-9-8-16(11-20(19)28-4-2)21(26)24-18-12-23-25(14-18)13-15-6-5-7-17(22)10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19336383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).