1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

C11H14F3N7O — CID 136555127

IUPAC1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCCn1nncc1CNC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H14F3N7O/c1-3-21-7(6-16-19-21)5-15-10(22)17-9-4-8(11(12,13)14)18-20(9)2/h4,6H,3,5H2,1-2H3,(H2,15,17,22)
InChIKeyFKRDJYKUKVLINC-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.37
Rot. Bonds4

About 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (PubChem CID 136555127) has the molecular formula C11H14F3N7O and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
PubChem CID136555127
Molecular FormulaC11H14F3N7O
Molecular Weight317.28 g/mol
Exact Mass317.12
IUPAC Name1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCCn1nncc1CNC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H14F3N7O/c1-3-21-7(6-16-19-21)5-15-10(22)17-9-4-8(11(12,13)14)18-20(9)2/h4,6H,3,5H2,1-2H3,(H2,15,17,22)
InChIKeyFKRDJYKUKVLINC-UHFFFAOYSA-N
XLogP1.37
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 45821213
1-(2,5-Dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 47363757
N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N'-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)urea
CID 74247520
N-(1-butyl-3-methyl-1H-pyrazol-5-yl)-N'-(2,2,2-trifluoroethyl)urea
CID 118792560
1-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methyltriazol-4-yl)urea
CID 125166311
1-[(3-Ethyltriazol-4-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
CID 132320652
N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025244
1-(3-Methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 138025248
4,4-Dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 155367241
[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 176189445
N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530939

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The IUPAC name of 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (CID 136555127) is 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is CCn1nncc1CNC(=O)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The InChIKey is FKRDJYKUKVLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7O/c1-3-21-7(6-16-19-21)5-15-10(22)17-9-4-8(11(12,13)14)18-20(9)2/h4,6H,3,5H2,1-2H3,(H2,15,17,22).
What are the key properties of 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea has a molecular weight of 317.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is sourced from PubChem (CID 136555127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).