1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea

C17H13N5O — CID 18993713

IUPAC1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H13N5O/c18-11-13-12-19-22(15-9-5-2-6-10-15)16(13)21-17(23)20-14-7-3-1-4-8-14/h1-10,12H,(H2,20,21,23)
InChIKeyTUUZIHMUBGNDAO-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea

1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea (PubChem CID 18993713) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea
PubChem CID18993713
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H13N5O/c18-11-13-12-19-22(15-9-5-2-6-10-15)16(13)21-17(23)20-14-7-3-1-4-8-14/h1-10,12H,(H2,20,21,23)
InChIKeyTUUZIHMUBGNDAO-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea (CID 18993713) is 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea is N#Cc1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea?
The InChIKey is TUUZIHMUBGNDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-11-13-12-19-22(15-9-5-2-6-10-15)16(13)21-17(23)20-14-7-3-1-4-8-14/h1-10,12H,(H2,20,21,23).
What are the key properties of 1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea?
1-(4-cyano-1-phenylpyrazol-5-yl)-3-phenylurea 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-cyano-1-phenylpyrazol-5-yl)-3-phenylurea is sourced from PubChem (CID 18993713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).