N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

C15H19N3O3 — CID 110900448

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(C)n(C)n2)cc1
InChIInChI=1S/C15H19N3O3/c1-10-8-13(17-18(10)2)15(20)16-9-14(19)11-4-6-12(21-3)7-5-11/h4-8,14,19H,9H2,1-3H3,(H,16,20)
InChIKeyZHQKZSCMONJMQY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.20
Rot. Bonds5

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 110900448) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID110900448
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(C)n(C)n2)cc1
InChIInChI=1S/C15H19N3O3/c1-10-8-13(17-18(10)2)15(20)16-9-14(19)11-4-6-12(21-3)7-5-11/h4-8,14,19H,9H2,1-3H3,(H,16,20)
InChIKeyZHQKZSCMONJMQY-UHFFFAOYSA-N
XLogP1.20
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110889489
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 94169651
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (CID 110900448) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(C(O)CNC(=O)c2cc(C)n(C)n2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZHQKZSCMONJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-8-13(17-18(10)2)15(20)16-9-14(19)11-4-6-12(21-3)7-5-11/h4-8,14,19H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).