N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C18H17N3O2 — CID 850331

IUPACN-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)15-6-4-3-5-7-15)18(22)20-14-8-10-16(23-2)11-9-14/h3-12H,1-2H3,(H,20,22)
InChIKeyDICBHALEVLQESS-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.44
Rot. Bonds4

About N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850331) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850331
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)15-6-4-3-5-7-15)18(22)20-14-8-10-16(23-2)11-9-14/h3-12H,1-2H3,(H,20,22)
InChIKeyDICBHALEVLQESS-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850331) is N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DICBHALEVLQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-17(12-19-21(13)15-6-4-3-5-7-15)18(22)20-14-8-10-16(23-2)11-9-14/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).