5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide

C17H23N3O2 — CID 110306858

IUPAC5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)(C)O)nn2C)cc1C
InChIInChI=1S/C17H23N3O2/c1-11-6-7-13(8-12(11)2)15-9-14(19-20(15)5)16(21)18-10-17(3,4)22/h6-9,22H,10H2,1-5H3,(H,18,21)
InChIKeyYELLQICILFJRNA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.20
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide

5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110306858) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
PubChem CID110306858
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)(C)O)nn2C)cc1C
InChIInChI=1S/C17H23N3O2/c1-11-6-7-13(8-12(11)2)15-9-14(19-20(15)5)16(21)18-10-17(3,4)22/h6-9,22H,10H2,1-5H3,(H,18,21)
InChIKeyYELLQICILFJRNA-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312211
5-(3,4-dimethylphenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 110417159
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110303367
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
N-benzyl-5-(3,4-dimethylphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 110299490
5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357218
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
3-(dimethylamino)-1-[4-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 110420398

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide (CID 110306858) is 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(C)(C)O)nn2C)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YELLQICILFJRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-6-7-13(8-12(11)2)15-9-14(19-20(15)5)16(21)18-10-17(3,4)22/h6-9,22H,10H2,1-5H3,(H,18,21).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110306858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).