1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea

C9H16N4O — CID 23548359

IUPAC1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESCC(C)NC(=O)NCCn1cccn1
InChIInChI=1S/C9H16N4O/c1-8(2)12-9(14)10-5-7-13-6-3-4-11-13/h3-4,6,8H,5,7H2,1-2H3,(H2,10,12,14)
InChIKeyAWRFOEPUWCTSPY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds4

About 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea

1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 23548359) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID23548359
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESCC(C)NC(=O)NCCn1cccn1
InChIInChI=1S/C9H16N4O/c1-8(2)12-9(14)10-5-7-13-6-3-4-11-13/h3-4,6,8H,5,7H2,1-2H3,(H2,10,12,14)
InChIKeyAWRFOEPUWCTSPY-UHFFFAOYSA-N
XLogP0.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea (CID 23548359) is 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea is CC(C)NC(=O)NCCn1cccn1.
What is the InChIKey of 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is AWRFOEPUWCTSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8(2)12-9(14)10-5-7-13-6-3-4-11-13/h3-4,6,8H,5,7H2,1-2H3,(H2,10,12,14).
What are the key properties of 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 196.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 23548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).