1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea

C20H24N4O2 — CID 136553391

IUPAC1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1
InChIInChI=1S/C20H24N4O2/c1-24-13-17(19(23-24)15-5-3-2-4-6-15)22-20(25)21-12-14-7-8-18-16(11-14)9-10-26-18/h7-11,13,15H,2-6,12H2,1H3,(H2,21,22,25)
InChIKeyNSYWPGRLGRXHHP-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.54
Rot. Bonds4

About 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea

1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea (PubChem CID 136553391) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea
PubChem CID136553391
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1
InChIInChI=1S/C20H24N4O2/c1-24-13-17(19(23-24)15-5-3-2-4-6-15)22-20(25)21-12-14-7-8-18-16(11-14)9-10-26-18/h7-11,13,15H,2-6,12H2,1H3,(H2,21,22,25)
InChIKeyNSYWPGRLGRXHHP-UHFFFAOYSA-N
XLogP4.54
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea (CID 136553391) is 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea?
The InChIKey is NSYWPGRLGRXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24-13-17(19(23-24)15-5-3-2-4-6-15)22-20(25)21-12-14-7-8-18-16(11-14)9-10-26-18/h7-11,13,15H,2-6,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea?
1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea has a molecular weight of 352.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 136553391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).