(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide

C18H24N4O2 — CID 9470539

IUPAC(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-5-19-18(24)13(3)20-17(23)11-16-12(2)21-22(14(16)4)15-9-7-6-8-10-15/h6-10,13H,5,11H2,1-4H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyZTJLTGKBQIUBIQ-CYBMUJFWSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds6

About (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide

(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide (PubChem CID 9470539) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
PubChem CID9470539
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-5-19-18(24)13(3)20-17(23)11-16-12(2)21-22(14(16)4)15-9-7-6-8-10-15/h6-10,13H,5,11H2,1-4H3,(H,19,24)(H,20,23)/t13-/m1/s1
InChIKeyZTJLTGKBQIUBIQ-CYBMUJFWSA-N
XLogP1.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225106
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155603
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
CID 124848562
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225822
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 56890511
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide (CID 9470539) is (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is ZTJLTGKBQIUBIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-19-18(24)13(3)20-17(23)11-16-12(2)21-22(14(16)4)15-9-7-6-8-10-15/h6-10,13H,5,11H2,1-4H3,(H,19,24)(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide?
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 328.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 9470539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).