2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide

C23H21N3O3S — CID 142893891

IUPAC2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1
InChIInChI=1S/C23H21N3O3S/c1-28-18-10-11-19(20(13-18)29-2)23(27)24-14-16-15-26(17-7-4-3-5-8-17)25-22(16)21-9-6-12-30-21/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyLFJWQCPJQPJDTD-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.55
Rot. Bonds7

About 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide

2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide (PubChem CID 142893891) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
PubChem CID142893891
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1
InChIInChI=1S/C23H21N3O3S/c1-28-18-10-11-19(20(13-18)29-2)23(27)24-14-16-15-26(17-7-4-3-5-8-17)25-22(16)21-9-6-12-30-21/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyLFJWQCPJQPJDTD-UHFFFAOYSA-N
XLogP4.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 24575103
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide (CID 142893891) is 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LFJWQCPJQPJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-18-10-11-19(20(13-18)29-2)23(27)24-14-16-15-26(17-7-4-3-5-8-17)25-22(16)21-9-6-12-30-21/h3-13,15H,14H2,1-2H3,(H,24,27).
What are the key properties of 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide?
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 142893891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).