1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea

C15H23N5O2 — CID 156534316

IUPAC1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea
SMILESCc1c(N2CCC(NC(=O)NC3CCCC3)C2)cn[nH]c1=O
InChIInChI=1S/C15H23N5O2/c1-10-13(8-16-19-14(10)21)20-7-6-12(9-20)18-15(22)17-11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,19,21)(H2,17,18,22)
InChIKeyUNJKKTCKATXTJR-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.90
Rot. Bonds3

About 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea

1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea (PubChem CID 156534316) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea
PubChem CID156534316
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea
SMILESCc1c(N2CCC(NC(=O)NC3CCCC3)C2)cn[nH]c1=O
InChIInChI=1S/C15H23N5O2/c1-10-13(8-16-19-14(10)21)20-7-6-12(9-20)18-15(22)17-11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,19,21)(H2,17,18,22)
InChIKeyUNJKKTCKATXTJR-UHFFFAOYSA-N
XLogP0.90
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea (CID 156534316) is 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea is Cc1c(N2CCC(NC(=O)NC3CCCC3)C2)cn[nH]c1=O.
What is the InChIKey of 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea?
The InChIKey is UNJKKTCKATXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-13(8-16-19-14(10)21)20-7-6-12(9-20)18-15(22)17-11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,19,21)(H2,17,18,22).
What are the key properties of 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea?
1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 156534316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).