1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea

C17H22N4O2 — CID 154866155

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc3c(c2)OCC3(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-11(2)21-9-13(8-18-21)20-16(22)19-12-5-6-14-15(7-12)23-10-17(14,3)4/h5-9,11H,10H2,1-4H3,(H2,19,20,22)
InChIKeyNVIZLCNRQVEPLA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.78
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 154866155) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID154866155
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc3c(c2)OCC3(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-11(2)21-9-13(8-18-21)20-16(22)19-12-5-6-14-15(7-12)23-10-17(14,3)4/h5-9,11H,10H2,1-4H3,(H2,19,20,22)
InChIKeyNVIZLCNRQVEPLA-UHFFFAOYSA-N
XLogP3.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82765529
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167963515
N-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134709761
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238972
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 118784257

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 154866155) is 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)Nc2ccc3c(c2)OCC3(C)C)cn1.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is NVIZLCNRQVEPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)21-9-13(8-18-21)20-16(22)19-12-5-6-14-15(7-12)23-10-17(14,3)4/h5-9,11H,10H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 154866155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).