(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

C16H24N4O2 — CID 110201566

IUPAC(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCn1nccc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H24N4O2/c1-19-14(8-10-18-19)16(22)20-11-4-2-3-9-17-15(21)12-6-5-7-13(12)20/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21)/t12-,13+/m1/s1
InChIKeyMFGALALMDSPEBH-OLZOCXBDSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds1

About (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (PubChem CID 110201566) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.

Molecular Properties

Compound Name(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
PubChem CID110201566
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCn1nccc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H24N4O2/c1-19-14(8-10-18-19)16(22)20-11-4-2-3-9-17-15(21)12-6-5-7-13(12)20/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21)/t12-,13+/m1/s1
InChIKeyMFGALALMDSPEBH-OLZOCXBDSA-N
XLogP1.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The IUPAC name of (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (CID 110201566) is (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.
What is the SMILES notation for (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The canonical SMILES for (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is Cn1nccc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The InChIKey is MFGALALMDSPEBH-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-14(8-10-18-19)16(22)20-11-4-2-3-9-17-15(21)12-6-5-7-13(12)20/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21)/t12-,13+/m1/s1.
What are the key properties of (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
(8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one has a molecular weight of 304.39 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-1-(2-methylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is sourced from PubChem (CID 110201566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).