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

C17H16N4O — CID 45381162

IUPAC1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h1-9,11-12H,10H2,(H,19,20)(H2,18,21,22)
InChIKeyZBEBZCLXHQPVNZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.40
Rot. Bonds4

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

1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 45381162) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID45381162
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h1-9,11-12H,10H2,(H,19,20)(H2,18,21,22)
InChIKeyZBEBZCLXHQPVNZ-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
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-m-tolyl-1H-pyrazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063925
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-(3-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10383002

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 45381162) is 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is ZBEBZCLXHQPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h1-9,11-12H,10H2,(H,19,20)(H2,18,21,22).
What are the key properties of 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 292.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 45381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).