3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C23H19N3O2 — CID 135675392

IUPAC3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)[nH]n2)c1O
InChIInChI=1S/C23H19N3O2/c1-15-6-5-9-19(22(15)27)20-14-21(26-25-20)23(28)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14,27H,1H3,(H,24,28)(H,25,26)
InChIKeyATYOXALHEHYDHJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.01
Rot. Bonds4

About 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135675392) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135675392
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)[nH]n2)c1O
InChIInChI=1S/C23H19N3O2/c1-15-6-5-9-19(22(15)27)20-14-21(26-25-20)23(28)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14,27H,1H3,(H,24,28)(H,25,26)
InChIKeyATYOXALHEHYDHJ-UHFFFAOYSA-N
XLogP5.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 135675392) is 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)[nH]n2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ATYOXALHEHYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-6-5-9-19(22(15)27)20-14-21(26-25-20)23(28)24-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14,27H,1H3,(H,24,28)(H,25,26).
What are the key properties of 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135675392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).