3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea

C13H22N4O2 — CID 110010772

IUPAC3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C13H22N4O2/c1-9(8-18)16(2)13(19)14-12-7-11(15-17(12)3)10-5-4-6-10/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyKEOYCWAFZROREB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.53
Rot. Bonds4

About 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea

3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea (PubChem CID 110010772) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea
PubChem CID110010772
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C13H22N4O2/c1-9(8-18)16(2)13(19)14-12-7-11(15-17(12)3)10-5-4-6-10/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,19)
InChIKeyKEOYCWAFZROREB-UHFFFAOYSA-N
XLogP1.53
TPSA70.39 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea (CID 110010772) is 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea is CC(CO)N(C)C(=O)Nc1cc(C2CCC2)nn1C.
What is the InChIKey of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The InChIKey is KEOYCWAFZROREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(8-18)16(2)13(19)14-12-7-11(15-17(12)3)10-5-4-6-10/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,19).
What are the key properties of 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea has a molecular weight of 266.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 110010772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).