1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C12H12F3N5O2 — CID 47492308

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCn1nccc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H12F3N5O2/c1-20-8(2-3-18-20)6-17-11(22)19-9-4-7(12(13,14)15)5-16-10(9)21/h2-5H,6H2,1H3,(H,16,21)(H2,17,19,22)
InChIKeyHCGMEMWGLBLEAM-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492308) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492308
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCn1nccc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H12F3N5O2/c1-20-8(2-3-18-20)6-17-11(22)19-9-4-7(12(13,14)15)5-16-10(9)21/h2-5H,6H2,1H3,(H,16,21)(H2,17,19,22)
InChIKeyHCGMEMWGLBLEAM-UHFFFAOYSA-N
XLogP1.45
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492308) is 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is Cn1nccc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is HCGMEMWGLBLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-20-8(2-3-18-20)6-17-11(22)19-9-4-7(12(13,14)15)5-16-10(9)21/h2-5H,6H2,1H3,(H,16,21)(H2,17,19,22).
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 315.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).