4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

C16H21N3O3 — CID 71873869

IUPAC4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O
InChIInChI=1S/C16H21N3O3/c1-11(2)12-5-4-6-13(9-12)19-10-14(20)15(18-19)16(21)17-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyNDZTUFHYYPTSKF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.08
Rot. Bonds6

About 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 71873869) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID71873869
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O
InChIInChI=1S/C16H21N3O3/c1-11(2)12-5-4-6-13(9-12)19-10-14(20)15(18-19)16(21)17-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyNDZTUFHYYPTSKF-UHFFFAOYSA-N
XLogP2.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 71873869) is 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is COCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O.
What is the InChIKey of 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is NDZTUFHYYPTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)12-5-4-6-13(9-12)19-10-14(20)15(18-19)16(21)17-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,17,21).
What are the key properties of 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methoxyethyl)-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71873869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).