N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C19H19N3O2 — CID 5214848

IUPACN-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-12-17(22(21-14)16-9-4-3-5-10-16)19(23)20-13-15-8-6-7-11-18(15)24-2/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyIGOFNMPGQUBMHY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5214848) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5214848
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-12-17(22(21-14)16-9-4-3-5-10-16)19(23)20-13-15-8-6-7-11-18(15)24-2/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyIGOFNMPGQUBMHY-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5214848) is N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1cc(C)nn1-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is IGOFNMPGQUBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-12-17(22(21-14)16-9-4-3-5-10-16)19(23)20-13-15-8-6-7-11-18(15)24-2/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5214848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).