N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C16H22N4O — CID 105060410

IUPACN-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CN)c2ccccc2)n(C)n1
InChIInChI=1S/C16H22N4O/c1-4-13-10-14(20(3)19-13)15(21)18-16(2,11-17)12-8-6-5-7-9-12/h5-10H,4,11,17H2,1-3H3,(H,18,21)
InChIKeyWHOLNRWPOWBEDE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.59
Rot. Bonds5

About N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 105060410) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID105060410
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CN)c2ccccc2)n(C)n1
InChIInChI=1S/C16H22N4O/c1-4-13-10-14(20(3)19-13)15(21)18-16(2,11-17)12-8-6-5-7-9-12/h5-10H,4,11,17H2,1-3H3,(H,18,21)
InChIKeyWHOLNRWPOWBEDE-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115309756
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802495
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96560022
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107868167
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 105060410) is N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)(CN)c2ccccc2)n(C)n1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is WHOLNRWPOWBEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13-10-14(20(3)19-13)15(21)18-16(2,11-17)12-8-6-5-7-9-12/h5-10H,4,11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 105060410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).