1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea

C12H20N4O2 — CID 114255727

IUPAC1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
SMILESCOc1cc(CNC(=O)NC2CCCC2)nn1C
InChIInChI=1S/C12H20N4O2/c1-16-11(18-2)7-10(15-16)8-13-12(17)14-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyXSZUSSDCVLMXQG-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.17
Rot. Bonds4

About 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea

1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea (PubChem CID 114255727) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
PubChem CID114255727
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
SMILESCOc1cc(CNC(=O)NC2CCCC2)nn1C
InChIInChI=1S/C12H20N4O2/c1-16-11(18-2)7-10(15-16)8-13-12(17)14-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyXSZUSSDCVLMXQG-UHFFFAOYSA-N
XLogP1.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea (CID 114255727) is 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea is COc1cc(CNC(=O)NC2CCCC2)nn1C.
What is the InChIKey of 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
The InChIKey is XSZUSSDCVLMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-11(18-2)7-10(15-16)8-13-12(17)14-9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea?
1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea has a molecular weight of 252.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 114255727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).