1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

C15H15N5OS — CID 90588201

IUPAC1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)Nc1cccs1
InChIInChI=1S/C15H15N5OS/c21-15(18-14-2-1-11-22-14)17-8-10-20-9-5-13(19-20)12-3-6-16-7-4-12/h1-7,9,11H,8,10H2,(H2,17,18,21)
InChIKeyGWHCMJBJQJVYBO-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 90588201) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID90588201
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)Nc1cccs1
InChIInChI=1S/C15H15N5OS/c21-15(18-14-2-1-11-22-14)17-8-10-20-9-5-13(19-20)12-3-6-16-7-4-12/h1-7,9,11H,8,10H2,(H2,17,18,21)
InChIKeyGWHCMJBJQJVYBO-UHFFFAOYSA-N
XLogP2.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 90588038
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
CID 155801216
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 121019897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (CID 90588201) is 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is O=C(NCCn1ccc(-c2ccncc2)n1)Nc1cccs1.
What is the InChIKey of 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is GWHCMJBJQJVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(18-14-2-1-11-22-14)17-8-10-20-9-5-13(19-20)12-3-6-16-7-4-12/h1-7,9,11H,8,10H2,(H2,17,18,21).
What are the key properties of 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 313.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 90588201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).