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

C18H17N3O2 — CID 164945781

IUPAC2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-15(17)18(22)19-12-13-6-8-14(9-7-13)16-10-11-20-21-16/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyIGIFUHHFXYWQPP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

About 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide

2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (PubChem CID 164945781) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
PubChem CID164945781
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-15(17)18(22)19-12-13-6-8-14(9-7-13)16-10-11-20-21-16/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyIGIFUHHFXYWQPP-UHFFFAOYSA-N
XLogP3.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
CID 168877285
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
2-methoxy-N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155516846
(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167534674
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (CID 164945781) is 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is COc1ccccc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The InChIKey is IGIFUHHFXYWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-15(17)18(22)19-12-13-6-8-14(9-7-13)16-10-11-20-21-16/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 164945781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).