1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea

C14H24N4O2 — CID 72909167

IUPAC1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRFMGNRYIQFMPDN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.15
Rot. Bonds4

About 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea

1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea (PubChem CID 72909167) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
PubChem CID72909167
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRFMGNRYIQFMPDN-UHFFFAOYSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea (CID 72909167) is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea is Cc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1.
What is the InChIKey of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The InChIKey is RFMGNRYIQFMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 72909167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).