1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C13H22N4O — CID 45107012

IUPAC1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CNC(=O)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)17(3)16-9)8-14-13(18)15-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H2,14,15,18)
InChIKeyQPRFZGQEIYQBDE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.78
Rot. Bonds3

About 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 45107012) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID45107012
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CNC(=O)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)17(3)16-9)8-14-13(18)15-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H2,14,15,18)
InChIKeyQPRFZGQEIYQBDE-UHFFFAOYSA-N
XLogP1.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 45107012) is 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is QPRFZGQEIYQBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(10(2)17(3)16-9)8-14-13(18)15-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 45107012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).