1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C13H22N4O2 — CID 129002052

IUPAC1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-10(4-5-19-12)6-14-13(18)16-11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H2,14,16,18)/t10-,12-/m1/s1
InChIKeyRRNIPZNDFRLUFK-ZYHUDNBSSA-N
MW266.34 g/mol
LogP1.60
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 129002052) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID129002052
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-10(4-5-19-12)6-14-13(18)16-11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H2,14,16,18)/t10-,12-/m1/s1
InChIKeyRRNIPZNDFRLUFK-ZYHUDNBSSA-N
XLogP1.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 129002052) is 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is RRNIPZNDFRLUFK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)12-10(4-5-19-12)6-14-13(18)16-11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H2,14,16,18)/t10-,12-/m1/s1.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129002052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).