5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one

C16H24N4O2 — CID 110201432

IUPAC5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CCCCCCN1
InChIInChI=1S/C16H24N4O2/c21-15-7-10-20(9-4-2-1-3-8-17-15)16(22)14-11-13(18-19-14)12-5-6-12/h11-12H,1-10H2,(H,17,21)(H,18,19)
InChIKeyPBTJQDXOOZKZCP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds2

About 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one

5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201432) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201432
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CCCCCCN1
InChIInChI=1S/C16H24N4O2/c21-15-7-10-20(9-4-2-1-3-8-17-15)16(22)14-11-13(18-19-14)12-5-6-12/h11-12H,1-10H2,(H,17,21)(H,18,19)
InChIKeyPBTJQDXOOZKZCP-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201432) is 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CCCCCCN1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is PBTJQDXOOZKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-7-10-20(9-4-2-1-3-8-17-15)16(22)14-11-13(18-19-14)12-5-6-12/h11-12H,1-10H2,(H,17,21)(H,18,19).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one?
5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).