1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea

C17H13N5O — CID 47081496

IUPAC1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13N5O/c18-10-13-6-8-14(9-7-13)20-17(23)21-15-11-19-22(12-15)16-4-2-1-3-5-16/h1-9,11-12H,(H2,20,21,23)
InChIKeyMUPPNMUAHBFCSG-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea

1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 47081496) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
PubChem CID47081496
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13N5O/c18-10-13-6-8-14(9-7-13)20-17(23)21-15-11-19-22(12-15)16-4-2-1-3-5-16/h1-9,11-12H,(H2,20,21,23)
InChIKeyMUPPNMUAHBFCSG-UHFFFAOYSA-N
XLogP3.39
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093668
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
CID 86895938
1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 139434229
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea (CID 47081496) is 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea is N#Cc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is MUPPNMUAHBFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-13-6-8-14(9-7-13)20-17(23)21-15-11-19-22(12-15)16-4-2-1-3-5-16/h1-9,11-12H,(H2,20,21,23).
What are the key properties of 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea?
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 303.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 47081496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).