1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea

C15H14N4OS — CID 2815277

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20)
InChIKeyCCWDJJVTJQGBHQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.79
Rot. Bonds3

About 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea

1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea (PubChem CID 2815277) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
PubChem CID2815277
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1
InChIInChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20)
InChIKeyCCWDJJVTJQGBHQ-UHFFFAOYSA-N
XLogP3.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea (CID 2815277) is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
The InChIKey is CCWDJJVTJQGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-19-13(16-15(20)17-14-8-5-9-21-14)10-12(18-19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,20).
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea?
1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea has a molecular weight of 298.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 2815277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).