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

C13H17N5O — CID 90588193

IUPAC1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
SMILESCCNC(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C13H17N5O/c1-2-15-13(19)16-8-10-18-9-5-12(17-18)11-3-6-14-7-4-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,19)
InChIKeyRGMLXLATEAUEBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds5

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

1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea (PubChem CID 90588193) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
PubChem CID90588193
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
SMILESCCNC(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C13H17N5O/c1-2-15-13(19)16-8-10-18-9-5-12(17-18)11-3-6-14-7-4-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,19)
InChIKeyRGMLXLATEAUEBL-UHFFFAOYSA-N
XLogP1.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 90588038
2-(3-pyridin-4-ylpyrazol-1-yl)acetic acid
CID 121211807

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea (CID 90588193) is 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea is CCNC(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is RGMLXLATEAUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-15-13(19)16-8-10-18-9-5-12(17-18)11-3-6-14-7-4-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,19).
What are the key properties of 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 90588193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).