N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

C23H22N4O3 — CID 24980539

IUPACN-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)no1
InChIInChI=1S/C23H22N4O3/c1-16-12-19(30-26-16)15-27-21(13-20(25-27)17-8-4-3-5-9-17)23(28)24-14-18-10-6-7-11-22(18)29-2/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyANHXGDDQNNEHNN-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.83
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 24980539) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID24980539
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)no1
InChIInChI=1S/C23H22N4O3/c1-16-12-19(30-26-16)15-27-21(13-20(25-27)17-8-4-3-5-9-17)23(28)24-14-18-10-6-7-11-22(18)29-2/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyANHXGDDQNNEHNN-UHFFFAOYSA-N
XLogP3.83
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (CID 24980539) is N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)no1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is ANHXGDDQNNEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-12-19(30-26-16)15-27-21(13-20(25-27)17-8-4-3-5-9-17)23(28)24-14-18-10-6-7-11-22(18)29-2/h3-13H,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24980539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).