3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide

C17H15N3O2 — CID 38779477

IUPAC3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-15-4-2-3-13(11-15)17(21)19-14-7-5-12(6-8-14)16-9-10-18-20-16/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyXKAWZURIPDBTRI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds4

About 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide

3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 38779477) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID38779477
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-15-4-2-3-13(11-15)17(21)19-14-7-5-12(6-8-14)16-9-10-18-20-16/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyXKAWZURIPDBTRI-UHFFFAOYSA-N
XLogP3.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
6-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]pyrimidine-4-carboxamide
CID 121167435
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide (CID 38779477) is 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is XKAWZURIPDBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-4-2-3-13(11-15)17(21)19-14-7-5-12(6-8-14)16-9-10-18-20-16/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 38779477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).