1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea

C13H18N4O3 — CID 71865843

IUPAC1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCCn1cc(NC(=O)NC(COC)c2ccco2)cn1
InChIInChI=1S/C13H18N4O3/c1-3-17-8-10(7-14-17)15-13(18)16-11(9-19-2)12-5-4-6-20-12/h4-8,11H,3,9H2,1-2H3,(H2,15,16,18)
InChIKeyMTKMYHPMDULXLN-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.01
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea

1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 71865843) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID71865843
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCCn1cc(NC(=O)NC(COC)c2ccco2)cn1
InChIInChI=1S/C13H18N4O3/c1-3-17-8-10(7-14-17)15-13(18)16-11(9-19-2)12-5-4-6-20-12/h4-8,11H,3,9H2,1-2H3,(H2,15,16,18)
InChIKeyMTKMYHPMDULXLN-UHFFFAOYSA-N
XLogP2.01
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 86778196
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 99775116
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97009408
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97062764
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea (CID 71865843) is 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea is CCn1cc(NC(=O)NC(COC)c2ccco2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is MTKMYHPMDULXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-17-8-10(7-14-17)15-13(18)16-11(9-19-2)12-5-4-6-20-12/h4-8,11H,3,9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 278.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 71865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).