(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide

C20H27N3O2 — CID 129350090

IUPAC(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-14(2)15(3)22-20(24)17-10-12-25-19(17)18-9-11-21-23(18)13-16-7-5-4-6-8-16/h4-9,11,14-15,17,19H,10,12-13H2,1-3H3,(H,22,24)/t15-,17-,19-/m0/s1
InChIKeyPKMBUCXSYOIGAL-IEZWGBDMSA-N
MW341.45 g/mol
LogP3.17
Rot. Bonds6

About (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide

(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide (PubChem CID 129350090) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide
PubChem CID129350090
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-14(2)15(3)22-20(24)17-10-12-25-19(17)18-9-11-21-23(18)13-16-7-5-4-6-8-16/h4-9,11,14-15,17,19H,10,12-13H2,1-3H3,(H,22,24)/t15-,17-,19-/m0/s1
InChIKeyPKMBUCXSYOIGAL-IEZWGBDMSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(1S)-1-cyclopropylethyl]oxolane-3-carboxamide
CID 129324298
(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(1R)-1-cyclopropylethyl]oxolane-3-carboxamide
CID 129324299
(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 128971293
(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129342115
(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001507
N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
CID 114300283
2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122082189
(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
CID 128974294
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 129325296
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide (CID 129350090) is (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide is CC(C)[C@H](C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The InChIKey is PKMBUCXSYOIGAL-IEZWGBDMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)15(3)22-20(24)17-10-12-25-19(17)18-9-11-21-23(18)13-16-7-5-4-6-8-16/h4-9,11,14-15,17,19H,10,12-13H2,1-3H3,(H,22,24)/t15-,17-,19-/m0/s1.
What are the key properties of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide?
(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(2S)-3-methylbutan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).