(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C18H26N4O2 — CID 56918570

IUPAC(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)c1cc(C(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n[nH]1
InChIInChI=1S/C18H26N4O2/c1-11(2)14-7-15(20-19-14)18(24)21-8-12-6-13(10-21)16-4-3-5-17(23)22(16)9-12/h7,11-13,16H,3-6,8-10H2,1-2H3,(H,19,20)/t12-,13-,16+/m1/s1
InChIKeyZTGSXMIOHSFPIB-IOASZLSFSA-N
MW330.43 g/mol
LogP2.01
Rot. Bonds2

About (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 56918570) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID56918570
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)c1cc(C(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n[nH]1
InChIInChI=1S/C18H26N4O2/c1-11(2)14-7-15(20-19-14)18(24)21-8-12-6-13(10-21)16-4-3-5-17(23)22(16)9-12/h7,11-13,16H,3-6,8-10H2,1-2H3,(H,19,20)/t12-,13-,16+/m1/s1
InChIKeyZTGSXMIOHSFPIB-IOASZLSFSA-N
XLogP2.01
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-11-(4-propan-2-ylbenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804419
(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194953
(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
(1R,2S,9R)-11-(5-propyl-1,2-oxazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56868087
(1R,2S,8S,11R,16S)-11-methyl-8-propan-2-yl-18-(2H-triazole-4-carbonyl)-7,14,18-triazatricyclo[14.3.1.02,14]icosane-6,13-dione
CID 155493297
(1R,2S,9S)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841758
(1R,2S,9S)-11-(3,4-dimethoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841681
11-(5-methylthiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610598
(1R,2R,9R)-11-(2-ethylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195034
(1R,2R,9R)-11-(2-ethylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194930
3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 166520449
(2R)-11-(cyclobutanecarbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804361

Frequently Asked Questions

What is the IUPAC name of (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 56918570) is (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CC(C)c1cc(C(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n[nH]1.
What is the InChIKey of (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is ZTGSXMIOHSFPIB-IOASZLSFSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11(2)14-7-15(20-19-14)18(24)21-8-12-6-13(10-21)16-4-3-5-17(23)22(16)9-12/h7,11-13,16H,3-6,8-10H2,1-2H3,(H,19,20)/t12-,13-,16+/m1/s1.
What are the key properties of (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 330.43 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 56918570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).