N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide

C17H15N3O2 — CID 5093672

IUPACN-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)18-17(21)16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyLYTUKDJWEKDKLN-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds4

About N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 5093672) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID5093672
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)18-17(21)16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyLYTUKDJWEKDKLN-UHFFFAOYSA-N
XLogP3.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 5093672) is N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is LYTUKDJWEKDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)18-17(21)16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5093672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).