1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

C17H15F3N4OS — CID 71797441

IUPAC1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccs1
InChIInChI=1S/C17H15F3N4OS/c1-24-14(15-6-3-7-26-15)9-13(23-24)10-21-16(25)22-12-5-2-4-11(8-12)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyVDGDYHMOBCFZTF-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.49
Rot. Bonds4

About 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 71797441) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID71797441
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccs1
InChIInChI=1S/C17H15F3N4OS/c1-24-14(15-6-3-7-26-15)9-13(23-24)10-21-16(25)22-12-5-2-4-11(8-12)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyVDGDYHMOBCFZTF-UHFFFAOYSA-N
XLogP4.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2820493
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
1-(1-Benzothiophen-3-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 2816301
1-[(4-Cyano-5-methylsulfanyl-3-thiophen-2-ylpyrazol-1-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 2819179
2-((4-fluorophenyl)thio)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797412
1-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71797482
1-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-yl)urea
CID 71807790
1-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71807791
1-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(2,6-difluorophenyl)urea
CID 86266316
1-(2,6-difluorophenyl)-3-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)urea
CID 86266400
1-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 86266405
1-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-phenylurea
CID 25388872

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 71797441) is 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccs1.
What is the InChIKey of 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VDGDYHMOBCFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-24-14(15-6-3-7-26-15)9-13(23-24)10-21-16(25)22-12-5-2-4-11(8-12)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 380.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71797441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).