1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea

C19H19FN4O — CID 2807997

IUPAC1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C19H19FN4O/c1-2-6-18-17(13-21-24(18)16-7-4-3-5-8-16)23-19(25)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H2,22,23,25)
InChIKeyKSAULELCQFCLCA-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea

1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea (PubChem CID 2807997) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
PubChem CID2807997
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C19H19FN4O/c1-2-6-18-17(13-21-24(18)16-7-4-3-5-8-16)23-19(25)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H2,22,23,25)
InChIKeyKSAULELCQFCLCA-UHFFFAOYSA-N
XLogP4.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea (CID 2807997) is 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea is CCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The InChIKey is KSAULELCQFCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-2-6-18-17(13-21-24(18)16-7-4-3-5-8-16)23-19(25)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea has a molecular weight of 338.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea is sourced from PubChem (CID 2807997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).