N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide

C18H25N3O — CID 94181374

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccccc2C)n1
InChIInChI=1S/C18H25N3O/c1-13(12-21-16(4)9-15(3)20-21)11-19-18(22)10-17-8-6-5-7-14(17)2/h5-9,13H,10-12H2,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyWIEGNEPUUFDENW-CYBMUJFWSA-N
MW299.42 g/mol
LogP2.80
Rot. Bonds6

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide (PubChem CID 94181374) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
PubChem CID94181374
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccccc2C)n1
InChIInChI=1S/C18H25N3O/c1-13(12-21-16(4)9-15(3)20-21)11-19-18(22)10-17-8-6-5-7-14(17)2/h5-9,13H,10-12H2,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyWIEGNEPUUFDENW-CYBMUJFWSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide
CID 55783699
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 47042483
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55740730
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111264698
5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 55834377

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide (CID 94181374) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide is Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccccc2C)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide?
The InChIKey is WIEGNEPUUFDENW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(12-21-16(4)9-15(3)20-21)11-19-18(22)10-17-8-6-5-7-14(17)2/h5-9,13H,10-12H2,1-4H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 94181374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).