N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

C22H18N4O3S — CID 3109221

IUPACN-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyCKVWXPIOENJIDP-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.45
Rot. Bonds6

About N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 3109221) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID3109221
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H18N4O3S/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyCKVWXPIOENJIDP-UHFFFAOYSA-N
XLogP4.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (CID 3109221) is N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is CKVWXPIOENJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-29-17-11-9-15(10-12-17)24-21(27)18-14-23-26(16-6-3-2-4-7-16)20(18)25-22(28)19-8-5-13-30-19/h2-14H,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 3109221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).