1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C15H18N4O3 — CID 122131901

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)Nc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C15H18N4O3/c1-21-7-5-19-10-13(9-16-19)18-15(20)17-12-2-3-14-11(8-12)4-6-22-14/h2-3,8-10H,4-7H2,1H3,(H2,17,18,20)
InChIKeyUTZUWPOFTZDWEO-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.11
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 122131901) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID122131901
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)Nc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C15H18N4O3/c1-21-7-5-19-10-13(9-16-19)18-15(20)17-12-2-3-14-11(8-12)4-6-22-14/h2-3,8-10H,4-7H2,1H3,(H2,17,18,20)
InChIKeyUTZUWPOFTZDWEO-UHFFFAOYSA-N
XLogP2.11
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 136524628
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94095897
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96519105
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 87044584
2-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pyrazol-1-yl]acetamide
CID 43783595
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87044600
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 122131901) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is COCCn1cc(NC(=O)Nc2ccc3c(c2)CCO3)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is UTZUWPOFTZDWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-7-5-19-10-13(9-16-19)18-15(20)17-12-2-3-14-11(8-12)4-6-22-14/h2-3,8-10H,4-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 302.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 122131901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).