1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea

C18H21F3N4O2 — CID 121139775

IUPAC1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C18H21F3N4O2/c1-2-27-14-7-5-13(6-8-14)23-17(26)22-9-10-25-15(12-3-4-12)11-16(24-25)18(19,20)21/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26)
InChIKeyPRTBNHTWPSTYTA-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.00
Rot. Bonds7

About 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea

1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea (PubChem CID 121139775) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
PubChem CID121139775
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C18H21F3N4O2/c1-2-27-14-7-5-13(6-8-14)23-17(26)22-9-10-25-15(12-3-4-12)11-16(24-25)18(19,20)21/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26)
InChIKeyPRTBNHTWPSTYTA-UHFFFAOYSA-N
XLogP4.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)urea
CID 17374525
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3,4,5-triethoxybenzamide
CID 121139647
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
CID 71807788
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 121139594
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121139606
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 769372
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
N-(4-ethoxyphenyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566145

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea (CID 121139775) is 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is PRTBNHTWPSTYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-2-27-14-7-5-13(6-8-14)23-17(26)22-9-10-25-15(12-3-4-12)11-16(24-25)18(19,20)21/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 382.39 g/mol, XLogP of 4.00, 7 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-(4-ethoxyphenyl)urea is sourced from PubChem (CID 121139775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).