1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

C18H19N5OS — CID 72718705

IUPAC1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1cccs1
InChIInChI=1S/C18H19N5OS/c24-18(21-17-2-1-11-25-17)20-9-10-23-16(14-3-4-14)12-15(22-23)13-5-7-19-8-6-13/h1-2,5-8,11-12,14H,3-4,9-10H2,(H2,20,21,24)
InChIKeyAAWFEOPIPRPACX-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea

1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 72718705) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID72718705
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1cccs1
InChIInChI=1S/C18H19N5OS/c24-18(21-17-2-1-11-25-17)20-9-10-23-16(14-3-4-14)12-15(22-23)13-5-7-19-8-6-13/h1-2,5-8,11-12,14H,3-4,9-10H2,(H2,20,21,24)
InChIKeyAAWFEOPIPRPACX-UHFFFAOYSA-N
XLogP3.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea (CID 72718705) is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1cccs1.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is AAWFEOPIPRPACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-18(21-17-2-1-11-25-17)20-9-10-23-16(14-3-4-14)12-15(22-23)13-5-7-19-8-6-13/h1-2,5-8,11-12,14H,3-4,9-10H2,(H2,20,21,24).
What are the key properties of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 353.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 72718705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).