1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

C16H19F3N4O — CID 74235563

IUPAC1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)n1cc(NC(=O)NCCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H19F3N4O/c1-11(2)23-10-14(9-21-23)22-15(24)20-7-6-12-4-3-5-13(8-12)16(17,18)19/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,24)
InChIKeyPTHYIHYCDHHBIO-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.85
Rot. Bonds5

About 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 74235563) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID74235563
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)n1cc(NC(=O)NCCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H19F3N4O/c1-11(2)23-10-14(9-21-23)22-15(24)20-7-6-12-4-3-5-13(8-12)16(17,18)19/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,24)
InChIKeyPTHYIHYCDHHBIO-UHFFFAOYSA-N
XLogP3.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfanylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3863786
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(2-hydroxyethyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 111458949
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-(3-methylsulfonylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]propyl]urea
CID 166182115
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
1-[1-(methoxymethyl)pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449693

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 74235563) is 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is CC(C)n1cc(NC(=O)NCCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is PTHYIHYCDHHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-11(2)23-10-14(9-21-23)22-15(24)20-7-6-12-4-3-5-13(8-12)16(17,18)19/h3-5,8-11H,6-7H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 340.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 74235563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).