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

C16H14N4O — CID 71654759

IUPAC1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H14N4O/c21-16(19-14-4-2-1-3-5-14)20-15-8-6-12(7-9-15)13-10-17-18-11-13/h1-11H,(H,17,18)(H2,19,20,21)
InChIKeyXJHJFSPDEPLSBG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.72
Rot. Bonds3

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

1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 71654759) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID71654759
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H14N4O/c21-16(19-14-4-2-1-3-5-14)20-15-8-6-12(7-9-15)13-10-17-18-11-13/h1-11H,(H,17,18)(H2,19,20,21)
InChIKeyXJHJFSPDEPLSBG-UHFFFAOYSA-N
XLogP3.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-(3-hydroxy-1-phenylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562540
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10526645
1-cyclohexyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10573963

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 71654759) is 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is XJHJFSPDEPLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(19-14-4-2-1-3-5-14)20-15-8-6-12(7-9-15)13-10-17-18-11-13/h1-11H,(H,17,18)(H2,19,20,21).
What are the key properties of 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 278.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 71654759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).