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

C10H12F3N7O — CID 138025248

IUPAC1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C
InChIInChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21)
InChIKeyQUFWPPQEKPKGRX-UHFFFAOYSA-N
MW303.25 g/mol
LogP0.89
Rot. Bonds3

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

1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (PubChem CID 138025248) has the molecular formula C10H12F3N7O and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
PubChem CID138025248
Molecular FormulaC10H12F3N7O
Molecular Weight303.25 g/mol
Exact Mass303.11
IUPAC Name1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C
InChIInChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21)
InChIKeyQUFWPPQEKPKGRX-UHFFFAOYSA-N
XLogP0.89
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(1-methyl-1H-1,2,3-triazol-4-yl)acetamide
CID 46988180
1-(2,5-Dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 47363757
1-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methyltriazol-4-yl)urea
CID 125166311
1-[(3-Ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 136555127
N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025244
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19516679
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19518192
N-(1-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519255
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19519543
N-(1-methylpyrazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521989
1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626300
2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
CID 19626302

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (CID 138025248) is 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is Cn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The InChIKey is QUFWPPQEKPKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21).
What are the key properties of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea has a molecular weight of 303.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is sourced from PubChem (CID 138025248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).