1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea

C13H22N4O2 — CID 111859269

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CC(O)C2CC2)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-10-7-12(17(3)15-10)14-13(19)16(2)8-11(18)9-5-6-9/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyLOLCLXLBHKCFDR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea (PubChem CID 111859269) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
PubChem CID111859269
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CC(O)C2CC2)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-10-7-12(17(3)15-10)14-13(19)16(2)8-11(18)9-5-6-9/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyLOLCLXLBHKCFDR-UHFFFAOYSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea (CID 111859269) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea is CCc1cc(NC(=O)N(C)CC(O)C2CC2)n(C)n1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The InChIKey is LOLCLXLBHKCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-10-7-12(17(3)15-10)14-13(19)16(2)8-11(18)9-5-6-9/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,19).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea has a molecular weight of 266.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea is sourced from PubChem (CID 111859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).