1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea

C13H17N5O2 — CID 86803950

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
SMILESCOCCn1ccc(NC(=O)Nc2cncc(C)c2)n1
InChIInChI=1S/C13H17N5O2/c1-10-7-11(9-14-8-10)15-13(19)16-12-3-4-18(17-12)5-6-20-2/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,19)
InChIKeyALCOEFUUIZDYTK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.88
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea (PubChem CID 86803950) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
PubChem CID86803950
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
SMILESCOCCn1ccc(NC(=O)Nc2cncc(C)c2)n1
InChIInChI=1S/C13H17N5O2/c1-10-7-11(9-14-8-10)15-13(19)16-12-3-4-18(17-12)5-6-20-2/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,19)
InChIKeyALCOEFUUIZDYTK-UHFFFAOYSA-N
XLogP1.88
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71870343
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 86803910
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
CID 120630096
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 86804008
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide
CID 95973996
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992409
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
2-(1-hydroxycyclopentyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 111432629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea (CID 86803950) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea is COCCn1ccc(NC(=O)Nc2cncc(C)c2)n1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea?
The InChIKey is ALCOEFUUIZDYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-7-11(9-14-8-10)15-13(19)16-12-3-4-18(17-12)5-6-20-2/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea?
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea has a molecular weight of 275.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea is sourced from PubChem (CID 86803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).