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

C13H17N5O — CID 90555819

IUPAC1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
SMILESCCNC(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-3-14-13(19)16-9-10-8-12(18(2)17-10)11-6-4-5-7-15-11/h4-8H,3,9H2,1-2H3,(H2,14,16,19)
InChIKeyXCWMSNVJJQKZPU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds4

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

1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea (PubChem CID 90555819) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
PubChem CID90555819
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
SMILESCCNC(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-3-14-13(19)16-9-10-8-12(18(2)17-10)11-6-4-5-7-15-11/h4-8H,3,9H2,1-2H3,(H2,14,16,19)
InChIKeyXCWMSNVJJQKZPU-UHFFFAOYSA-N
XLogP1.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
CID 167062778
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 90555700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea (CID 90555819) is 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea is CCNC(=O)NCc1cc(-c2ccccn2)n(C)n1.
What is the InChIKey of 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The InChIKey is XCWMSNVJJQKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-13(19)16-9-10-8-12(18(2)17-10)11-6-4-5-7-15-11/h4-8H,3,9H2,1-2H3,(H2,14,16,19).
What are the key properties of 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 90555819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).