1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C15H11F3N4O3 — CID 2822416

IUPAC1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11F3N4O3/c16-15(17,18)25-10-5-3-9(4-6-10)19-14(23)20-13-8-11(21-22-13)12-2-1-7-24-12/h1-8H,(H3,19,20,21,22,23)
InChIKeyYFIMZPWAQGGCDQ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.21
Rot. Bonds4

About 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2822416) has the molecular formula C15H11F3N4O3 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2822416
Molecular FormulaC15H11F3N4O3
Molecular Weight352.27 g/mol
Exact Mass352.08
IUPAC Name1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11F3N4O3/c16-15(17,18)25-10-5-3-9(4-6-10)19-14(23)20-13-8-11(21-22-13)12-2-1-7-24-12/h1-8H,(H3,19,20,21,22,23)
InChIKeyYFIMZPWAQGGCDQ-UHFFFAOYSA-N
XLogP4.21
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-(furan-2-yl)-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
CID 712742
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742771
3-(Furan-2-yl)-1-phenyl-1h-pyrazol-5-amine
CID 12288137
1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 16769813
3-(Furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 63173008
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea
CID 2822409
5-Furan-2-yl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10829333
N-[3-(2-furyl)-1H-pyrazol-5-yl]-N-(4-methoxybenzyl)amine
CID 57411902
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 135955411
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 135955413

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 2822416) is 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is YFIMZPWAQGGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3/c16-15(17,18)25-10-5-3-9(4-6-10)19-14(23)20-13-8-11(21-22-13)12-2-1-7-24-12/h1-8H,(H3,19,20,21,22,23).
What are the key properties of 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 352.27 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2822416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).