1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C13H19N5O2 — CID 47089368

IUPAC1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(CC(C)C)nn2C)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)5-10-7-12(18(4)16-10)15-13(19)14-11-6-9(3)20-17-11/h6-8H,5H2,1-4H3,(H2,14,15,17,19)
InChIKeyFGBLANFNFOUOPP-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.56
Rot. Bonds4

About 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47089368) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47089368
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(CC(C)C)nn2C)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)5-10-7-12(18(4)16-10)15-13(19)14-11-6-9(3)20-17-11/h6-8H,5H2,1-4H3,(H2,14,15,17,19)
InChIKeyFGBLANFNFOUOPP-UHFFFAOYSA-N
XLogP2.56
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47089368) is 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(CC(C)C)nn2C)no1.
What is the InChIKey of 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is FGBLANFNFOUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)5-10-7-12(18(4)16-10)15-13(19)14-11-6-9(3)20-17-11/h6-8H,5H2,1-4H3,(H2,14,15,17,19).
What are the key properties of 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 277.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47089368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).