1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea

C17H14ClFN4O — CID 1454971

IUPAC1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea
SMILESCc1[nH]nc(NC(=O)Nc2cccc(Cl)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(11-5-7-13(19)8-6-11)16(23-22-10)21-17(24)20-14-4-2-3-12(18)9-14/h2-9H,1H3,(H3,20,21,22,23,24)
InChIKeyQOHYQFCSMNWFLP-UHFFFAOYSA-N
MW344.78 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea

1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea (PubChem CID 1454971) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea
PubChem CID1454971
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea
SMILESCc1[nH]nc(NC(=O)Nc2cccc(Cl)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(11-5-7-13(19)8-6-11)16(23-22-10)21-17(24)20-14-4-2-3-12(18)9-14/h2-9H,1H3,(H3,20,21,22,23,24)
InChIKeyQOHYQFCSMNWFLP-UHFFFAOYSA-N
XLogP4.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea (CID 1454971) is 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea is Cc1[nH]nc(NC(=O)Nc2cccc(Cl)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea?
The InChIKey is QOHYQFCSMNWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10-15(11-5-7-13(19)8-6-11)16(23-22-10)21-17(24)20-14-4-2-3-12(18)9-14/h2-9H,1H3,(H3,20,21,22,23,24).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea?
1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea has a molecular weight of 344.78 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 1454971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).