(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide

C19H23N3O3 — CID 95283928

IUPAC(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
SMILESCc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1COCCO1
InChIInChI=1S/C19H23N3O3/c1-13-11-20-22(16-8-4-6-14-5-2-3-7-15(14)16)18(13)21-19(23)17-12-24-9-10-25-17/h2-3,5,7,11,16-17H,4,6,8-10,12H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyVAFVYJSUSOEHKU-IRXDYDNUSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds3

About (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide

(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide (PubChem CID 95283928) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
PubChem CID95283928
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
SMILESCc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1COCCO1
InChIInChI=1S/C19H23N3O3/c1-13-11-20-22(16-8-4-6-14-5-2-3-7-15(14)16)18(13)21-19(23)17-12-24-9-10-25-17/h2-3,5,7,11,16-17H,4,6,8-10,12H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyVAFVYJSUSOEHKU-IRXDYDNUSA-N
XLogP2.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide 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

4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
CID 99701920
3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
CID 56786892
2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
CID 97068319
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
CID 120626408
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
CID 52516791
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52507457
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide (CID 95283928) is (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide is Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is VAFVYJSUSOEHKU-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-11-20-22(16-8-4-6-14-5-2-3-7-15(14)16)18(13)21-19(23)17-12-24-9-10-25-17/h2-3,5,7,11,16-17H,4,6,8-10,12H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide?
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95283928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).