N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

C13H20N6O2 — CID 137125644

IUPACN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)Cc2n[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C13H20N6O2/c1-5-19-9(4)12(8(3)18-19)7(2)14-11(20)6-10-15-13(21)17-16-10/h7H,5-6H2,1-4H3,(H,14,20)(H2,15,16,17,21)/t7-/m0/s1
InChIKeyZQLQJQVZNDEEDD-ZETCQYMHSA-N
MW292.34 g/mol
LogP0.35
Rot. Bonds5

About N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (PubChem CID 137125644) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
PubChem CID137125644
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)Cc2n[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C13H20N6O2/c1-5-19-9(4)12(8(3)18-19)7(2)14-11(20)6-10-15-13(21)17-16-10/h7H,5-6H2,1-4H3,(H,14,20)(H2,15,16,17,21)/t7-/m0/s1
InChIKeyZQLQJQVZNDEEDD-ZETCQYMHSA-N
XLogP0.35
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
CID 136815496
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 125167544
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91775450
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97115290
1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
CID 125164430
N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
CID 103107285
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 95874109
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
CID 115722851
N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706428

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (CID 137125644) is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is CCn1nc(C)c([C@H](C)NC(=O)Cc2n[nH]c(=O)[nH]2)c1C.
What is the InChIKey of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
The InChIKey is ZQLQJQVZNDEEDD-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-5-19-9(4)12(8(3)18-19)7(2)14-11(20)6-10-15-13(21)17-16-10/h7H,5-6H2,1-4H3,(H,14,20)(H2,15,16,17,21)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 137125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).