1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea

C14H18N4O — CID 47040895

IUPAC1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea
SMILESCC(C)CNC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c1-11(2)10-15-14(19)17-12-6-3-4-7-13(12)18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H2,15,17,19)
InChIKeyISANVHGIUCNGNE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea

1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040895) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040895
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea
SMILESCC(C)CNC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C14H18N4O/c1-11(2)10-15-14(19)17-12-6-3-4-7-13(12)18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H2,15,17,19)
InChIKeyISANVHGIUCNGNE-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea (CID 47040895) is 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea is CC(C)CNC(=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is ISANVHGIUCNGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(2)10-15-14(19)17-12-6-3-4-7-13(12)18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea?
1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).