(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one

C17H24N4O3 — CID 155496738

IUPAC(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
SMILESCc1n[nH]c(C)c1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13
InChIInChI=1S/C17H24N4O3/c1-9(2)12-8-24-17-5-6-20(13(17)7-14(22)21(12)17)16(23)15-10(3)18-19-11(15)4/h9,12-13H,5-8H2,1-4H3,(H,18,19)/t12-,13+,17-/m0/s1
InChIKeyOYNATJCMTRUZFB-AHIWAGSCSA-N
MW332.40 g/mol
LogP1.22
Rot. Bonds2

About (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one

(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one (PubChem CID 155496738) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one.

Molecular Properties

Compound Name(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
PubChem CID155496738
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
SMILESCc1n[nH]c(C)c1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13
InChIInChI=1S/C17H24N4O3/c1-9(2)12-8-24-17-5-6-20(13(17)7-14(22)21(12)17)16(23)15-10(3)18-19-11(15)4/h9,12-13H,5-8H2,1-4H3,(H,18,19)/t12-,13+,17-/m0/s1
InChIKeyOYNATJCMTRUZFB-AHIWAGSCSA-N
XLogP1.22
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-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

(1S,4R,8R)-9-(2,6-difluorobenzoyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154821127
(1S,4R,8R)-9-[2-(methylamino)pyridine-3-carbonyl]-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154824054
(1S,4R,8R)-9-(naphthalene-1-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155493026
(1S,4R,8R)-9-(2-methoxypyridine-3-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154823419
(1S,4R,8R)-9-(4-chloro-3-methylbenzoyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154822644
(1S,4R,8R)-9-(1-methyl-6-oxopyridine-3-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154816544
(1S,4R,8R)-9-(3,4-difluorobenzoyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154821626
(1S,4R,8R)-9-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155504129
(1S,4R,8R)-4-propan-2-yl-9-(2-propan-2-ylpyrimidine-4-carbonyl)-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154816210
(1S,4R,8R)-9-[2-(2-fluorophenyl)benzoyl]-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155501396
(1S,4R,8R)-9-[(E)-3-phenylprop-2-enoyl]-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154819952
(1S,4R,8R)-9-(1-methyl-5-phenylpyrazole-3-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154821829

Frequently Asked Questions

What is the IUPAC name of (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The IUPAC name of (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one (CID 155496738) is (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one.
What is the SMILES notation for (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The canonical SMILES for (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one is Cc1n[nH]c(C)c1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13.
What is the InChIKey of (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The InChIKey is OYNATJCMTRUZFB-AHIWAGSCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-9(2)12-8-24-17-5-6-20(13(17)7-14(22)21(12)17)16(23)15-10(3)18-19-11(15)4/h9,12-13H,5-8H2,1-4H3,(H,18,19)/t12-,13+,17-/m0/s1.
What are the key properties of (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
(1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one has a molecular weight of 332.40 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8R)-9-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one is sourced from PubChem (CID 155496738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).