4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide

C22H19N3O2S — CID 42691501

IUPAC4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccsc4)cc3)[nH]n2)c1
InChIInChI=1S/C22H19N3O2S/c1-27-19-4-2-3-18(11-19)21-12-20(24-25-21)16-5-7-17(8-6-16)22(26)23-13-15-9-10-28-14-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyHVNJBIVGKHNIKF-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.74
Rot. Bonds6

About 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 42691501) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
PubChem CID42691501
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccsc4)cc3)[nH]n2)c1
InChIInChI=1S/C22H19N3O2S/c1-27-19-4-2-3-18(11-19)21-12-20(24-25-21)16-5-7-17(8-6-16)22(26)23-13-15-9-10-28-14-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyHVNJBIVGKHNIKF-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
N-[(4-methoxyphenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091627
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135900117
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92772032
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
ethane;methyl 4-[3-[3-[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 144790688
[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 46092149
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide (CID 42691501) is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccsc4)cc3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is HVNJBIVGKHNIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-19-4-2-3-18(11-19)21-12-20(24-25-21)16-5-7-17(8-6-16)22(26)23-13-15-9-10-28-14-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide?
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 42691501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).