N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C21H17N3O2S — CID 7899964

IUPACN-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O2S/c1-26-17-11-9-15(10-12-17)22-21(25)19-14-18(20-8-5-13-27-20)23-24(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)
InChIKeyVHNLYQDYNMXWRK-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.86
Rot. Bonds5

About N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 7899964) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID7899964
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O2S/c1-26-17-11-9-15(10-12-17)22-21(25)19-14-18(20-8-5-13-27-20)23-24(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)
InChIKeyVHNLYQDYNMXWRK-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16557769
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16603096
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7250102
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 7899964) is N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is VHNLYQDYNMXWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-17-11-9-15(10-12-17)22-21(25)19-14-18(20-8-5-13-27-20)23-24(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 7899964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).