1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

C13H22N4O2 — CID 84584595

IUPAC1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCCC1CC1NC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-4-9-5-11(9)16-12(18)14-8-13(2,19)10-6-15-17(3)7-10/h6-7,9,11,19H,4-5,8H2,1-3H3,(H2,14,16,18)
InChIKeyCSQBKLPVZFGTSK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds5

About 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 84584595) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID84584595
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCCC1CC1NC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-4-9-5-11(9)16-12(18)14-8-13(2,19)10-6-15-17(3)7-10/h6-7,9,11,19H,4-5,8H2,1-3H3,(H2,14,16,18)
InChIKeyCSQBKLPVZFGTSK-UHFFFAOYSA-N
XLogP0.73
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (CID 84584595) is 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is CCC1CC1NC(=O)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is CSQBKLPVZFGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-5-11(9)16-12(18)14-8-13(2,19)10-6-15-17(3)7-10/h6-7,9,11,19H,4-5,8H2,1-3H3,(H2,14,16,18).
What are the key properties of 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 266.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclopropyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 84584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).