1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide

C17H23N3O3 — CID 111969959

IUPAC1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N(C)CC(C)(C)O)n1
InChIInChI=1S/C17H23N3O3/c1-5-12-8-6-7-9-13(12)20-10-14(21)15(18-20)16(22)19(4)11-17(2,3)23/h6-10,21,23H,5,11H2,1-4H3
InChIKeyZRUBNKAQDSQITH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide

1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide (PubChem CID 111969959) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
PubChem CID111969959
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N(C)CC(C)(C)O)n1
InChIInChI=1S/C17H23N3O3/c1-5-12-8-6-7-9-13(12)20-10-14(21)15(18-20)16(22)19(4)11-17(2,3)23/h6-10,21,23H,5,11H2,1-4H3
InChIKeyZRUBNKAQDSQITH-UHFFFAOYSA-N
XLogP1.98
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 103749107
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
1-(2-ethylphenyl)-4-formylpyrazole-3-carboxylic acid
CID 82130337
(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]methanone
CID 167860498
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318004
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 112798219
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide (CID 111969959) is 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide is CCc1ccccc1-n1cc(O)c(C(=O)N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is ZRUBNKAQDSQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-12-8-6-7-9-13(12)20-10-14(21)15(18-20)16(22)19(4)11-17(2,3)23/h6-10,21,23H,5,11H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 111969959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).