1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C16H24N4O2 — CID 71990490

IUPAC1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)NCc1ccoc1C
InChIInChI=1S/C16H24N4O2/c1-10(8-15-11(2)19-20(5)12(15)3)18-16(21)17-9-14-6-7-22-13(14)4/h6-7,10H,8-9H2,1-5H3,(H2,17,18,21)
InChIKeyNUEHGFYTCAYHCC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.37
Rot. Bonds5

About 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 71990490) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID71990490
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)NCc1ccoc1C
InChIInChI=1S/C16H24N4O2/c1-10(8-15-11(2)19-20(5)12(15)3)18-16(21)17-9-14-6-7-22-13(14)4/h6-7,10H,8-9H2,1-5H3,(H2,17,18,21)
InChIKeyNUEHGFYTCAYHCC-UHFFFAOYSA-N
XLogP2.37
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 71990490) is 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is Cc1nn(C)c(C)c1CC(C)NC(=O)NCc1ccoc1C.
What is the InChIKey of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is NUEHGFYTCAYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10(8-15-11(2)19-20(5)12(15)3)18-16(21)17-9-14-6-7-22-13(14)4/h6-7,10H,8-9H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 71990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).