1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

C12H18N6O — CID 71894038

IUPAC1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCn1ccnc1
InChIInChI=1S/C12H18N6O/c1-11(9-18-6-2-3-15-18)16-12(19)14-5-8-17-7-4-13-10-17/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,14,16,19)
InChIKeyYNUOCEUWVHPSAW-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.47
Rot. Bonds6

About 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 71894038) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID71894038
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCn1ccnc1
InChIInChI=1S/C12H18N6O/c1-11(9-18-6-2-3-15-18)16-12(19)14-5-8-17-7-4-13-10-17/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,14,16,19)
InChIKeyYNUOCEUWVHPSAW-UHFFFAOYSA-N
XLogP0.47
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 71894038) is 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NCCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is YNUOCEUWVHPSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-11(9-18-6-2-3-15-18)16-12(19)14-5-8-17-7-4-13-10-17/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,14,16,19).
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 262.32 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 71894038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).