N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide

C19H19N3O3 — CID 111115502

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1cccc(C(O)CNC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-5-2-4-15(12-17)18(23)13-20-19(24)14-6-8-16(9-7-14)22-11-3-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyRCAGQROBOXTTGW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.34
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 111115502) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
PubChem CID111115502
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1cccc(C(O)CNC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-25-17-5-2-4-15(12-17)18(23)13-20-19(24)14-6-8-16(9-7-14)22-11-3-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyRCAGQROBOXTTGW-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

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55538549
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72850232
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide (CID 111115502) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide is COc1cccc(C(O)CNC(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is RCAGQROBOXTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-5-2-4-15(12-17)18(23)13-20-19(24)14-6-8-16(9-7-14)22-11-3-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-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-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111115502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).