N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide

C19H19N3O3 — CID 91639884

IUPACN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)NC(CO)c2ccccc2)cc1-n1cccn1
InChIInChI=1S/C19H19N3O3/c1-25-18-9-8-15(12-17(18)22-11-5-10-20-22)19(24)21-16(13-23)14-6-3-2-4-7-14/h2-12,16,23H,13H2,1H3,(H,21,24)
InChIKeyQEAXIZXHIHFRLJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.34
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide

N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide (PubChem CID 91639884) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
PubChem CID91639884
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)NC(CO)c2ccccc2)cc1-n1cccn1
InChIInChI=1S/C19H19N3O3/c1-25-18-9-8-15(12-17(18)22-11-5-10-20-22)19(24)21-16(13-23)14-6-3-2-4-7-14/h2-12,16,23H,13H2,1H3,(H,21,24)
InChIKeyQEAXIZXHIHFRLJ-UHFFFAOYSA-N
XLogP2.34
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 110205119
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide (CID 91639884) is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide is COc1ccc(C(=O)NC(CO)c2ccccc2)cc1-n1cccn1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The InChIKey is QEAXIZXHIHFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-18-9-8-15(12-17(18)22-11-5-10-20-22)19(24)21-16(13-23)14-6-3-2-4-7-14/h2-12,16,23H,13H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 91639884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).