1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea

C12H19N7O2 — CID 136815496

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCn1nc(C)c(NC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C12H19N7O2/c1-5-19-8(4)9(6(2)18-19)14-11(20)13-7(3)10-15-12(21)17-16-10/h7H,5H2,1-4H3,(H2,13,14,20)(H2,15,16,17,21)/t7-/m1/s1
InChIKeySBDPIYIKFUDJLW-SSDOTTSWSA-N
MW293.33 g/mol
LogP0.81
Rot. Bonds4

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 136815496) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID136815496
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCn1nc(C)c(NC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)c1C
InChIInChI=1S/C12H19N7O2/c1-5-19-8(4)9(6(2)18-19)14-11(20)13-7(3)10-15-12(21)17-16-10/h7H,5H2,1-4H3,(H2,13,14,20)(H2,15,16,17,21)/t7-/m1/s1
InChIKeySBDPIYIKFUDJLW-SSDOTTSWSA-N
XLogP0.81
TPSA120.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
CID 137262526
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
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
3-[(1S)-1-(methylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137266426
1-[(2S)-butan-2-yl]-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 29057295
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
CID 125164430
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
CID 74230786
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]benzamide
CID 136915025
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide
CID 91843220
1-[(2R)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 29057298

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 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) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea is CCn1nc(C)c(NC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is SBDPIYIKFUDJLW-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-5-19-8(4)9(6(2)18-19)14-11(20)13-7(3)10-15-12(21)17-16-10/h7H,5H2,1-4H3,(H2,13,14,20)(H2,15,16,17,21)/t7-/m1/s1.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 293.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 136815496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).