N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C15H19N3O2 — CID 107861204

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(18(2)17-11)15(20)16-13(10-19)9-12-6-4-3-5-7-12/h3-8,13,19H,9-10H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyZOAWVMLEKIPWFZ-CYBMUJFWSA-N
MW273.34 g/mol
LogP1.06
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 107861204) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID107861204
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(18(2)17-11)15(20)16-13(10-19)9-12-6-4-3-5-7-12/h3-8,13,19H,9-10H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyZOAWVMLEKIPWFZ-CYBMUJFWSA-N
XLogP1.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107861847
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 107863497
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 107861204) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n(C)n1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZOAWVMLEKIPWFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-14(18(2)17-11)15(20)16-13(10-19)9-12-6-4-3-5-7-12/h3-8,13,19H,9-10H2,1-2H3,(H,16,20)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 107861204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).