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

C19H21N5OS — CID 72718706

IUPAC1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)NCc1cccs1
InChIInChI=1S/C19H21N5OS/c25-19(22-13-16-2-1-11-26-16)21-9-10-24-18(15-3-4-15)12-17(23-24)14-5-7-20-8-6-14/h1-2,5-8,11-12,15H,3-4,9-10,13H2,(H2,21,22,25)
InChIKeyWDKBZRYLRRLDAL-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.38
Rot. Bonds7

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

1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 72718706) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID72718706
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)NCc1cccs1
InChIInChI=1S/C19H21N5OS/c25-19(22-13-16-2-1-11-26-16)21-9-10-24-18(15-3-4-15)12-17(23-24)14-5-7-20-8-6-14/h1-2,5-8,11-12,15H,3-4,9-10,13H2,(H2,21,22,25)
InChIKeyWDKBZRYLRRLDAL-UHFFFAOYSA-N
XLogP3.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.38
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-ylmethyl)urea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 72718706) is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)NCc1cccs1.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WDKBZRYLRRLDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-19(22-13-16-2-1-11-26-16)21-9-10-24-18(15-3-4-15)12-17(23-24)14-5-7-20-8-6-14/h1-2,5-8,11-12,15H,3-4,9-10,13H2,(H2,21,22,25).
What are the key properties of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 367.48 g/mol, XLogP of 3.38, 7 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-ylmethyl)urea is sourced from PubChem (CID 72718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).