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

C12H17F3N4O — CID 71807787

IUPAC1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)17-5-6-19-9(8-3-4-8)7-10(18-19)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,20)
InChIKeyMZNSKLXSCSELHV-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.10
Rot. Bonds5

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

1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea (PubChem CID 71807787) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea
PubChem CID71807787
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)17-5-6-19-9(8-3-4-8)7-10(18-19)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,20)
InChIKeyMZNSKLXSCSELHV-UHFFFAOYSA-N
XLogP2.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea?
The IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea (CID 71807787) is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea is CCNC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea?
The InChIKey is MZNSKLXSCSELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-11(20)17-5-6-19-9(8-3-4-8)7-10(18-19)12(13,14)15/h7-8H,2-6H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea?
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea has a molecular weight of 290.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-ethylurea is sourced from PubChem (CID 71807787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).