N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide

C17H23N3O2 — CID 111422596

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-7-5-12(6-8-14)15(21)10-18-16(22)13-9-19-20(4)11-13/h5-9,11,15,21H,10H2,1-4H3,(H,18,22)
InChIKeyCYBIOCDDWUKQSP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111422596) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
PubChem CID111422596
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-7-5-12(6-8-14)15(21)10-18-16(22)13-9-19-20(4)11-13/h5-9,11,15,21H,10H2,1-4H3,(H,18,22)
InChIKeyCYBIOCDDWUKQSP-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 111422607
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
CID 119792647
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 139007347
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide (CID 111422596) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC(O)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CYBIOCDDWUKQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)14-7-5-12(6-8-14)15(21)10-18-16(22)13-9-19-20(4)11-13/h5-9,11,15,21H,10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111422596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).