(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide

C15H23N3O2 — CID 136586422

IUPAC(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-11-9-14(16-15(19)12-7-8-20-10-12)17-18(11)13-5-3-2-4-6-13/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeySJOITMBJIDECBL-LBPRGKRZSA-N
MW277.37 g/mol
LogP2.67
Rot. Bonds3

About (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide

(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 136586422) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID136586422
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-11-9-14(16-15(19)12-7-8-20-10-12)17-18(11)13-5-3-2-4-6-13/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeySJOITMBJIDECBL-LBPRGKRZSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 46988837
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-3-carboxamide
CID 50970124
(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94144978
(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
CID 136586420
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 137930654
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-4-carboxamide
CID 137930667
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide
CID 154781132
1-tert-butyl-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 45930562
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
N-(5-Methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)acetamide
CID 68666867
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-2-morpholin-2-ylacetamide
CID 141183012

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide (CID 136586422) is (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCOC2)nn1C1CCCCC1.
What is the InChIKey of (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is SJOITMBJIDECBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-9-14(16-15(19)12-7-8-20-10-12)17-18(11)13-5-3-2-4-6-13/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide?
(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 136586422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).