1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea

C11H14N4OS — CID 75522804

IUPAC1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCC(C)n1nccc1NC(=O)Nc1ccsc1
InChIInChI=1S/C11H14N4OS/c1-8(2)15-10(3-5-12-15)14-11(16)13-9-4-6-17-7-9/h3-8H,1-2H3,(H2,13,14,16)
InChIKeyWCXJYUOBVYEMMJ-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea

1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea (PubChem CID 75522804) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea
PubChem CID75522804
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCC(C)n1nccc1NC(=O)Nc1ccsc1
InChIInChI=1S/C11H14N4OS/c1-8(2)15-10(3-5-12-15)14-11(16)13-9-4-6-17-7-9/h3-8H,1-2H3,(H2,13,14,16)
InChIKeyWCXJYUOBVYEMMJ-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea (CID 75522804) is 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea is CC(C)n1nccc1NC(=O)Nc1ccsc1.
What is the InChIKey of 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea?
The InChIKey is WCXJYUOBVYEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(2)15-10(3-5-12-15)14-11(16)13-9-4-6-17-7-9/h3-8H,1-2H3,(H2,13,14,16).
What are the key properties of 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea?
1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea has a molecular weight of 250.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 75522804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).