1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea

C17H15F3N4O2 — CID 71797359

IUPAC1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C17H15F3N4O2/c1-24-14(15-7-4-8-26-15)9-11(23-24)10-21-16(25)22-13-6-3-2-5-12(13)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyOYCMLKLCDUMQML-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.02
Rot. Bonds4

About 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 71797359) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID71797359
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C17H15F3N4O2/c1-24-14(15-7-4-8-26-15)9-11(23-24)10-21-16(25)22-13-6-3-2-5-12(13)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyOYCMLKLCDUMQML-UHFFFAOYSA-N
XLogP4.02
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 71797359) is 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is Cn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is OYCMLKLCDUMQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-24-14(15-7-4-8-26-15)9-11(23-24)10-21-16(25)22-13-6-3-2-5-12(13)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 364.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71797359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).