1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

C15H13FN4OS — CID 42687525

IUPAC1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN4OS/c1-9-13(14(20-19-9)10-5-6-22-8-10)18-15(21)17-12-4-2-3-11(16)7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyNUOBYLOFTCCSBQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (PubChem CID 42687525) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
PubChem CID42687525
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN4OS/c1-9-13(14(20-19-9)10-5-6-22-8-10)18-15(21)17-12-4-2-3-11(16)7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyNUOBYLOFTCCSBQ-UHFFFAOYSA-N
XLogP4.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 713948
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylacetamide
CID 42687267
N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 46168276
1-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71797441
2,4-Difluoro-N-[5-methyl-3-(thiophen-3-YL)-1H-pyrazol-4-YL]benzamide
CID 42687283
N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442827
(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442882
(6R)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442888
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686256
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686311
N-[3-(3-Fluorophenyl)-5-propyl-1H-pyrazol-4-YL]-2-(thiophen-2-YL)acetamide
CID 42686313
N-[3-(4-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686446

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (CID 42687525) is 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is Cc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The InChIKey is NUOBYLOFTCCSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-9-13(14(20-19-9)10-5-6-22-8-10)18-15(21)17-12-4-2-3-11(16)7-12/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea has a molecular weight of 316.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 42687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).