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

C16H24N4O2 — CID 71990495

IUPAC1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
SMILESCCC(NC(=O)NCc1ccoc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H24N4O2/c1-6-14(15-10(2)19-20(5)11(15)3)18-16(21)17-9-13-7-8-22-12(13)4/h7-8,14H,6,9H2,1-5H3,(H2,17,18,21)
InChIKeyTWNPIOUMBFEZNQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.89
Rot. Bonds5

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

1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (PubChem CID 71990495) 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)propyl]urea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
PubChem CID71990495
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)propyl]urea
SMILESCCC(NC(=O)NCc1ccoc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H24N4O2/c1-6-14(15-10(2)19-20(5)11(15)3)18-16(21)17-9-13-7-8-22-12(13)4/h7-8,14H,6,9H2,1-5H3,(H2,17,18,21)
InChIKeyTWNPIOUMBFEZNQ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 111508899
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
(2-methylfuran-3-yl)methylurea
CID 130639643
(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
CID 99857636
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
2-amino-5-nitro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99790565
N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
CID 99604213
3-(3-hydroxy-4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 127265718
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 99855977

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (CID 71990495) is 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea is CCC(NC(=O)NCc1ccoc1C)c1c(C)nn(C)c1C.
What is the InChIKey of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The InChIKey is TWNPIOUMBFEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-6-14(15-10(2)19-20(5)11(15)3)18-16(21)17-9-13-7-8-22-12(13)4/h7-8,14H,6,9H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.89, 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)propyl]urea is sourced from PubChem (CID 71990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).