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

C14H15F3N4OS — CID 71807790

IUPAC1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-10(9-3-4-9)21(20-11)6-5-18-13(22)19-12-2-1-7-23-12/h1-2,7-9H,3-6H2,(H2,18,19,22)
InChIKeyLFORNWWIFSSOET-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.66
Rot. Bonds5

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

1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea (PubChem CID 71807790) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea
PubChem CID71807790
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-10(9-3-4-9)21(20-11)6-5-18-13(22)19-12-2-1-7-23-12/h1-2,7-9H,3-6H2,(H2,18,19,22)
InChIKeyLFORNWWIFSSOET-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea (CID 71807790) is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccs1.
What is the InChIKey of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea?
The InChIKey is LFORNWWIFSSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-10(9-3-4-9)21(20-11)6-5-18-13(22)19-12-2-1-7-23-12/h1-2,7-9H,3-6H2,(H2,18,19,22).
What are the key properties of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea?
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-thiophen-2-ylurea has a molecular weight of 344.36 g/mol, XLogP of 3.66, 5 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-ylurea is sourced from PubChem (CID 71807790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).