1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

C14H20N4O2 — CID 94163440

IUPAC1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2cccn2)o1
InChIInChI=1S/C14H20N4O2/c1-10(9-18-8-4-7-15-18)16-14(19)17-12(3)13-6-5-11(2)20-13/h4-8,10,12H,9H2,1-3H3,(H2,16,17,19)/t10-,12-/m0/s1
InChIKeyWHHZJTKXKSZMOL-JQWIXIFHSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds5

About 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94163440) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94163440
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2cccn2)o1
InChIInChI=1S/C14H20N4O2/c1-10(9-18-8-4-7-15-18)16-14(19)17-12(3)13-6-5-11(2)20-13/h4-8,10,12H,9H2,1-3H3,(H2,16,17,19)/t10-,12-/m0/s1
InChIKeyWHHZJTKXKSZMOL-JQWIXIFHSA-N
XLogP2.23
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
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1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
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1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
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CID 61459501
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94163440) is 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is Cc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2cccn2)o1.
What is the InChIKey of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is WHHZJTKXKSZMOL-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(9-18-8-4-7-15-18)16-14(19)17-12(3)13-6-5-11(2)20-13/h4-8,10,12H,9H2,1-3H3,(H2,16,17,19)/t10-,12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94163440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).