3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C15H18N4O2 — CID 97157164

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C15H18N4O2/c1-18(7-11-6-16-19(2)8-11)15(20)17-14-4-3-12-9-21-10-13(12)5-14/h3-6,8H,7,9-10H2,1-2H3,(H,17,20)
InChIKeyNTBUPAOHGVAECK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.11
Rot. Bonds3

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

3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 97157164) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID97157164
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C15H18N4O2/c1-18(7-11-6-16-19(2)8-11)15(20)17-14-4-3-12-9-21-10-13(12)5-14/h3-6,8H,7,9-10H2,1-2H3,(H,17,20)
InChIKeyNTBUPAOHGVAECK-UHFFFAOYSA-N
XLogP2.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
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CID 31682826
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 49120184
2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 51108578
1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 146128859
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72909535
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 71938105
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 97157164) is 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CN(Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is NTBUPAOHGVAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(7-11-6-16-19(2)8-11)15(20)17-14-4-3-12-9-21-10-13(12)5-14/h3-6,8H,7,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 286.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 97157164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).