1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea

C19H18ClFN4O — CID 2808016

IUPAC1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN4O/c1-2-3-18-17(12-22-25(18)16-10-4-13(20)5-11-16)24-19(26)23-15-8-6-14(21)7-9-15/h4-12H,2-3H2,1H3,(H2,23,24,26)
InChIKeyMUDXLSHABDQWGE-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.26
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea

1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 2808016) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea
PubChem CID2808016
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN4O/c1-2-3-18-17(12-22-25(18)16-10-4-13(20)5-11-16)24-19(26)23-15-8-6-14(21)7-9-15/h4-12H,2-3H2,1H3,(H2,23,24,26)
InChIKeyMUDXLSHABDQWGE-UHFFFAOYSA-N
XLogP5.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea (CID 2808016) is 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea is CCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is MUDXLSHABDQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-2-3-18-17(12-22-25(18)16-10-4-13(20)5-11-16)24-19(26)23-15-8-6-14(21)7-9-15/h4-12H,2-3H2,1H3,(H2,23,24,26).
What are the key properties of 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea?
1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 372.83 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-propylpyrazol-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2808016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).