1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

C15H12F2N4OS — CID 42687526

IUPAC1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12F2N4OS/c1-8-13(14(21-20-8)9-4-5-23-7-9)19-15(22)18-12-3-2-10(16)6-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyIKEQQDROCSJZHN-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.37
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (PubChem CID 42687526) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
PubChem CID42687526
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12F2N4OS/c1-8-13(14(21-20-8)9-4-5-23-7-9)19-15(22)18-12-3-2-10(16)6-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyIKEQQDROCSJZHN-UHFFFAOYSA-N
XLogP4.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (CID 42687526) is 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is Cc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The InChIKey is IKEQQDROCSJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c1-8-13(14(21-20-8)9-4-5-23-7-9)19-15(22)18-12-3-2-10(16)6-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea has a molecular weight of 334.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 42687526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).