[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea

C15H18N4O — CID 142779393

IUPAC[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C3(C)CC3)cc2NC(N)=O)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)19-13(17-14(16)20)9-12(18-19)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3,(H3,16,17,20)
InChIKeyKKKZCAMXYNFDTN-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.72
Rot. Bonds3

About [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea

[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea (PubChem CID 142779393) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea
PubChem CID142779393
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C3(C)CC3)cc2NC(N)=O)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)19-13(17-14(16)20)9-12(18-19)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3,(H3,16,17,20)
InChIKeyKKKZCAMXYNFDTN-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The IUPAC name of [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea (CID 142779393) is [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea is Cc1ccc(-n2nc(C3(C)CC3)cc2NC(N)=O)cc1.
What is the InChIKey of [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The InChIKey is KKKZCAMXYNFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)19-13(17-14(16)20)9-12(18-19)15(2)7-8-15/h3-6,9H,7-8H2,1-2H3,(H3,16,17,20).
What are the key properties of [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea has a molecular weight of 270.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 142779393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).