1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea

C22H18N4O — CID 68813926

IUPAC1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C22H18N4O/c23-22(27)26(18-9-5-2-6-10-18)19-13-11-17(12-14-19)21-15-20(24-25-21)16-7-3-1-4-8-16/h1-15H,(H2,23,27)(H,24,25)
InChIKeyFFMBYHCQIAXFNR-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.96
Rot. Bonds4

About 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea

1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea (PubChem CID 68813926) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
PubChem CID68813926
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
SMILESNC(=O)N(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C22H18N4O/c23-22(27)26(18-9-5-2-6-10-18)19-13-11-17(12-14-19)21-15-20(24-25-21)16-7-3-1-4-8-16/h1-15H,(H2,23,27)(H,24,25)
InChIKeyFFMBYHCQIAXFNR-UHFFFAOYSA-N
XLogP4.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1,1-diphenylurea
CID 174849888
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-phenylurea
CID 174507017
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone
CID 165084092
butane;1,1-diphenylurea
CID 70397101
1-(4-formylphenyl)-1-phenylurea
CID 57262410
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea (CID 68813926) is 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea is NC(=O)N(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is FFMBYHCQIAXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-22(27)26(18-9-5-2-6-10-18)19-13-11-17(12-14-19)21-15-20(24-25-21)16-7-3-1-4-8-16/h1-15H,(H2,23,27)(H,24,25).
What are the key properties of 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea?
1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 354.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 68813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).