1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

C15H17F3N4OS — CID 71807791

IUPAC1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NCc1cccs1
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)13-8-12(10-3-4-10)22(21-13)6-5-19-14(23)20-9-11-2-1-7-24-11/h1-2,7-8,10H,3-6,9H2,(H2,19,20,23)
InChIKeyXHUDPJVIXKYVNB-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71807791) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71807791
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NCc1cccs1
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)13-8-12(10-3-4-10)22(21-13)6-5-19-14(23)20-9-11-2-1-7-24-11/h1-2,7-8,10H,3-6,9H2,(H2,19,20,23)
InChIKeyXHUDPJVIXKYVNB-UHFFFAOYSA-N
XLogP3.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 867032
1-ethyl-3-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 25388864
1-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71797441
1-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71797482
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-3-carboxamide
CID 71807729
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-2-(thiophen-2-yl)acetamide
CID 71807733
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(phenylthio)propanamide
CID 71807753
1-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-yl)urea
CID 71807790
1-(thiophen-2-ylmethyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808078
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-2-((4-fluorophenyl)thio)acetamide
CID 71808590
N-(2-(5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-2-((4-fluorophenyl)thio)acetamide
CID 72718630
1-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(2,6-difluorophenyl)urea
CID 86266316

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71807791) is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NCc1cccs1.
What is the InChIKey of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is XHUDPJVIXKYVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c16-15(17,18)13-8-12(10-3-4-10)22(21-13)6-5-19-14(23)20-9-11-2-1-7-24-11/h1-2,7-8,10H,3-6,9H2,(H2,19,20,23).
What are the key properties of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 358.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71807791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).