(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide

C16H25N3O3 — CID 136586420

IUPAC(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2OCCO[C@H]2C)nn1C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-10-14(18-19(11)13-6-4-3-5-7-13)17-16(20)15-12(2)21-8-9-22-15/h10,12-13,15H,3-9H2,1-2H3,(H,17,18,20)/t12-,15-/m0/s1
InChIKeyGKMOEJDUORJRAV-WFASDCNBSA-N
MW307.39 g/mol
LogP2.44
Rot. Bonds3

About (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide

(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide (PubChem CID 136586420) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
PubChem CID136586420
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2OCCO[C@H]2C)nn1C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-10-14(18-19(11)13-6-4-3-5-7-13)17-16(20)15-12(2)21-8-9-22-15/h10,12-13,15H,3-9H2,1-2H3,(H,17,18,20)/t12-,15-/m0/s1
InChIKeyGKMOEJDUORJRAV-WFASDCNBSA-N
XLogP2.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-2-carboxamide
CID 50967434
(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 128629932
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 136586422
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide
CID 138008990
(2S,3S)-3-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 138017659
2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 138049440
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2-morpholin-4-ylacetamide
CID 57705440
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 57705466
2-(2-butoxyethoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 57792185
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 57792237
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2-morpholin-2-ylacetamide
CID 141183012

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide (CID 136586420) is (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide is Cc1cc(NC(=O)[C@H]2OCCO[C@H]2C)nn1C1CCCCC1.
What is the InChIKey of (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide?
The InChIKey is GKMOEJDUORJRAV-WFASDCNBSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-10-14(18-19(11)13-6-4-3-5-7-13)17-16(20)15-12(2)21-8-9-22-15/h10,12-13,15H,3-9H2,1-2H3,(H,17,18,20)/t12-,15-/m0/s1.
What are the key properties of (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide?
(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 136586420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).