1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea

C12H20N4O2 — CID 167991927

IUPAC1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea
SMILESCCc1c(NC(=O)NC2CCOCC2)n[nH]c1C
InChIInChI=1S/C12H20N4O2/c1-3-10-8(2)15-16-11(10)14-12(17)13-9-4-6-18-7-5-9/h9H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeySWFNWCHZOOBPLW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea

1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea (PubChem CID 167991927) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea
PubChem CID167991927
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea
SMILESCCc1c(NC(=O)NC2CCOCC2)n[nH]c1C
InChIInChI=1S/C12H20N4O2/c1-3-10-8(2)15-16-11(10)14-12(17)13-9-4-6-18-7-5-9/h9H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeySWFNWCHZOOBPLW-UHFFFAOYSA-N
XLogP1.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea
CID 123349045
N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 167766806
2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide
CID 155909781
5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
CID 115735766
N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 156585386
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
N-(4,5-dimethyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 115609939
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
CID 138997880
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 138044983
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea (CID 167991927) is 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea is CCc1c(NC(=O)NC2CCOCC2)n[nH]c1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea?
The InChIKey is SWFNWCHZOOBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-10-8(2)15-16-11(10)14-12(17)13-9-4-6-18-7-5-9/h9H,3-7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea?
1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea has a molecular weight of 252.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 167991927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).