1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea

C7H9F3N4O — CID 115635303

IUPAC1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cn[nH]c1NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-4-2-12-14-5(4)13-6(15)11-3-7(8,9)10/h2H,3H2,1H3,(H3,11,12,13,14,15)
InChIKeyMJJJNQQCWUKKJM-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.40
Rot. Bonds2

About 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115635303) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115635303
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cn[nH]c1NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-4-2-12-14-5(4)13-6(15)11-3-7(8,9)10/h2H,3H2,1H3,(H3,11,12,13,14,15)
InChIKeyMJJJNQQCWUKKJM-UHFFFAOYSA-N
XLogP1.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115635303) is 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1cn[nH]c1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MJJJNQQCWUKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4-2-12-14-5(4)13-6(15)11-3-7(8,9)10/h2H,3H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 222.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115635303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).