(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide

C17H21N3O2 — CID 35278282

IUPAC(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-17(21)15-9-6-10-22-15)13(2)20(19-12)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyZPGXJFVQFKRLSL-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.67
Rot. Bonds4

About (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide

(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 35278282) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID35278282
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-17(21)15-9-6-10-22-15)13(2)20(19-12)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyZPGXJFVQFKRLSL-HNNXBMFYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 19342670
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopentanecarboxamide
CID 35278959
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302909
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 19346724
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
CID 78873658
N-phenyloxolane-2-carboxamide
CID 3453643
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide (CID 35278282) is (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is ZPGXJFVQFKRLSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(18-17(21)15-9-6-10-22-15)13(2)20(19-12)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 35278282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).