1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

C18H15F3N4O — CID 35521130

IUPAC1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C18H15F3N4O/c1-12-10-11-25(24-12)14-8-6-13(7-9-14)22-17(26)23-16-5-3-2-4-15(16)18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyGVNLWWYUYVCLOT-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.84
Rot. Bonds3

About 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 35521130) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID35521130
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C18H15F3N4O/c1-12-10-11-25(24-12)14-8-6-13(7-9-14)22-17(26)23-16-5-3-2-4-15(16)18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyGVNLWWYUYVCLOT-UHFFFAOYSA-N
XLogP4.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 35521130) is 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1ccn(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is GVNLWWYUYVCLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-12-10-11-25(24-12)14-8-6-13(7-9-14)22-17(26)23-16-5-3-2-4-15(16)18(19,20)21/h2-11H,1H3,(H2,22,23,26).
What are the key properties of 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 360.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 35521130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).