(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C18H28N4O2 — CID 110199288

IUPAC(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCCn1nccc1C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H28N4O2/c1-2-22-16(10-12-20-22)18(24)21-13-6-4-3-5-11-19-17(23)14-8-7-9-15(14)21/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23)/t14-,15+/m1/s1
InChIKeyCWMKXZUFLZSTCI-CABCVRRESA-N
MW332.45 g/mol
LogP2.20
Rot. Bonds2

About (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199288) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199288
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCCn1nccc1C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H28N4O2/c1-2-22-16(10-12-20-22)18(24)21-13-6-4-3-5-11-19-17(23)14-8-7-9-15(14)21/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23)/t14-,15+/m1/s1
InChIKeyCWMKXZUFLZSTCI-CABCVRRESA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-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 (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199288) is (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CCn1nccc1C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is CWMKXZUFLZSTCI-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-22-16(10-12-20-22)18(24)21-13-6-4-3-5-11-19-17(23)14-8-7-9-15(14)21/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23)/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 332.45 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).