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

C12H20N4O2 — CID 111422853

IUPAC1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
SMILESCCc1cc(NC(=O)N(CCO)C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-3-9-8-11(15(2)14-9)13-12(18)16(6-7-17)10-4-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,18)
InChIKeySPRUIUSNBHNMPV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.97
Rot. Bonds5

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

1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111422853) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
PubChem CID111422853
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
SMILESCCc1cc(NC(=O)N(CCO)C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-3-9-8-11(15(2)14-9)13-12(18)16(6-7-17)10-4-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,18)
InChIKeySPRUIUSNBHNMPV-UHFFFAOYSA-N
XLogP0.97
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea (CID 111422853) is 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea is CCc1cc(NC(=O)N(CCO)C2CC2)n(C)n1.
What is the InChIKey of 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is SPRUIUSNBHNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-9-8-11(15(2)14-9)13-12(18)16(6-7-17)10-4-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,18).
What are the key properties of 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 252.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111422853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).