3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C12H20N4O — CID 38162034

IUPAC3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N4O/c1-15(8-10-7-13-16(2)9-10)12(17)14-11-5-3-4-6-11/h7,9,11H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyKHELWXBISPISQT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 38162034) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID38162034
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N4O/c1-15(8-10-7-13-16(2)9-10)12(17)14-11-5-3-4-6-11/h7,9,11H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyKHELWXBISPISQT-UHFFFAOYSA-N
XLogP1.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 38162034) is 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CN(Cc1cnn(C)c1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is KHELWXBISPISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(8-10-7-13-16(2)9-10)12(17)14-11-5-3-4-6-11/h7,9,11H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 38162034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).