4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide

C18H17N3O2 — CID 49320232

IUPAC4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-21-11-10-17(20-21)19-18(22)14-8-9-16(23-2)15(12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20,22)
InChIKeyRMCSUNXUEDDCBN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.35
Rot. Bonds4

About 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide

4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide (PubChem CID 49320232) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
PubChem CID49320232
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-21-11-10-17(20-21)19-18(22)14-8-9-16(23-2)15(12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20,22)
InChIKeyRMCSUNXUEDDCBN-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
CID 110424178
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 19405069
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide?
The IUPAC name of 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide (CID 49320232) is 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide is COc1ccc(C(=O)Nc2ccn(C)n2)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide?
The InChIKey is RMCSUNXUEDDCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-11-10-17(20-21)19-18(22)14-8-9-16(23-2)15(12-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide?
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide is sourced from PubChem (CID 49320232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).