N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C16H21N3O2 — CID 19474826

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C16H21N3O2/c1-9(2)12-7-14(10(3)6-15(12)20)17-16(21)13-8-19(5)18-11(13)4/h6-9,20H,1-5H3,(H,17,21)
InChIKeyHDMORZIPKPIWRV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.12
Rot. Bonds3

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474826) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474826
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C16H21N3O2/c1-9(2)12-7-14(10(3)6-15(12)20)17-16(21)13-8-19(5)18-11(13)4/h6-9,20H,1-5H3,(H,17,21)
InChIKeyHDMORZIPKPIWRV-UHFFFAOYSA-N
XLogP3.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide
CID 19454787
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 99697971

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 19474826) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is HDMORZIPKPIWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)12-7-14(10(3)6-15(12)20)17-16(21)13-8-19(5)18-11(13)4/h6-9,20H,1-5H3,(H,17,21).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).