3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea

C17H22N4O2 — CID 72902588

IUPAC3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea
SMILESCN(CCOc1ccccc1)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C17H22N4O2/c1-20(10-11-23-14-6-4-3-5-7-14)17(22)18-16-12-15(13-8-9-13)19-21(16)2/h3-7,12-13H,8-11H2,1-2H3,(H,18,22)
InChIKeyYNCIFXQSVSMXML-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.84
Rot. Bonds6

About 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea

3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea (PubChem CID 72902588) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea
PubChem CID72902588
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea
SMILESCN(CCOc1ccccc1)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C17H22N4O2/c1-20(10-11-23-14-6-4-3-5-7-14)17(22)18-16-12-15(13-8-9-13)19-21(16)2/h3-7,12-13H,8-11H2,1-2H3,(H,18,22)
InChIKeyYNCIFXQSVSMXML-UHFFFAOYSA-N
XLogP2.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea (CID 72902588) is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea is CN(CCOc1ccccc1)C(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea?
The InChIKey is YNCIFXQSVSMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(10-11-23-14-6-4-3-5-7-14)17(22)18-16-12-15(13-8-9-13)19-21(16)2/h3-7,12-13H,8-11H2,1-2H3,(H,18,22).
What are the key properties of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea?
3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methyl-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 72902588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).