1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea

C19H20F3N5O2 — CID 51115361

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccco1
InChIInChI=1S/C19H20F3N5O2/c1-26(2)16(17-5-3-10-29-17)12-23-18(28)25-15-7-6-13(27-9-4-8-24-27)11-14(15)19(20,21)22/h3-11,16H,12H2,1-2H3,(H2,23,25,28)
InChIKeyCJVIRHSJCKADJQ-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea (PubChem CID 51115361) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
PubChem CID51115361
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccco1
InChIInChI=1S/C19H20F3N5O2/c1-26(2)16(17-5-3-10-29-17)12-23-18(28)25-15-7-6-13(27-9-4-8-24-27)11-14(15)19(20,21)22/h3-11,16H,12H2,1-2H3,(H2,23,25,28)
InChIKeyCJVIRHSJCKADJQ-UHFFFAOYSA-N
XLogP3.91
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 52503226
(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 39189099
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 52502872
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-benzyl-1-[2-(dimethylamino)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 47033764
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea (CID 51115361) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea is CN(C)C(CNC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea?
The InChIKey is CJVIRHSJCKADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-26(2)16(17-5-3-10-29-17)12-23-18(28)25-15-7-6-13(27-9-4-8-24-27)11-14(15)19(20,21)22/h3-11,16H,12H2,1-2H3,(H2,23,25,28).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea has a molecular weight of 407.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 51115361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).