N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C12H18N6O2 — CID 164639213

IUPACN-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCn1cc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cn1
InChIInChI=1S/C12H18N6O2/c1-4-17-6-10(5-13-17)9(2)15-11(19)7-18-12(20)16(3)8-14-18/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)/t9-/m0/s1
InChIKeyUPAYUGOUHDRKMC-VIFPVBQESA-N
MW278.32 g/mol
LogP-0.32
Rot. Bonds5

About N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 164639213) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID164639213
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCn1cc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cn1
InChIInChI=1S/C12H18N6O2/c1-4-17-6-10(5-13-17)9(2)15-11(19)7-18-12(20)16(3)8-14-18/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)/t9-/m0/s1
InChIKeyUPAYUGOUHDRKMC-VIFPVBQESA-N
XLogP-0.32
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018138
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135
2-{7-Amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-2-YL}-N-[(1,3-dimethyl-1H-pyrazol-4-YL)methyl]-N-methylacetamide
CID 91910903
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 86284757
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 95325173
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 125435652
3-Ethyl-1-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 132284094
1-Methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 136520928
(2S)-N,N-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 164639213) is N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CCn1cc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cn1.
What is the InChIKey of N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is UPAYUGOUHDRKMC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-17-6-10(5-13-17)9(2)15-11(19)7-18-12(20)16(3)8-14-18/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 164639213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).