1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C17H19N5OS — CID 121020078

IUPAC1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(-c2cccnc2)nn1CCNC(=O)NCc1cccs1
InChIInChI=1S/C17H19N5OS/c1-13-10-16(14-4-2-6-18-11-14)21-22(13)8-7-19-17(23)20-12-15-5-3-9-24-15/h2-6,9-11H,7-8,12H2,1H3,(H2,19,20,23)
InChIKeyBXLPCHMSIUORDB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 121020078) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID121020078
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(-c2cccnc2)nn1CCNC(=O)NCc1cccs1
InChIInChI=1S/C17H19N5OS/c1-13-10-16(14-4-2-6-18-11-14)21-22(13)8-7-19-17(23)20-12-15-5-3-9-24-15/h2-6,9-11H,7-8,12H2,1H3,(H2,19,20,23)
InChIKeyBXLPCHMSIUORDB-UHFFFAOYSA-N
XLogP2.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 121020078) is 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is Cc1cc(-c2cccnc2)nn1CCNC(=O)NCc1cccs1.
What is the InChIKey of 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BXLPCHMSIUORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13-10-16(14-4-2-6-18-11-14)21-22(13)8-7-19-17(23)20-12-15-5-3-9-24-15/h2-6,9-11H,7-8,12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 341.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 121020078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).