(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide

C24H27N3O3 — CID 128966194

IUPAC(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C24H27N3O3/c1-16-22(17(2)27(26-16)20-10-5-4-6-11-20)23-21(12-13-30-23)24(28)25-19-9-7-8-18(14-19)15-29-3/h4-11,14,21,23H,12-13,15H2,1-3H3,(H,25,28)/t21-,23-/m0/s1
InChIKeyBQGBUORBVRBNRE-GMAHTHKFSA-N
MW405.50 g/mol
LogP4.35
Rot. Bonds6

About (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide

(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (PubChem CID 128966194) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
PubChem CID128966194
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C24H27N3O3/c1-16-22(17(2)27(26-16)20-10-5-4-6-11-20)23-21(12-13-30-23)24(28)25-19-9-7-8-18(14-19)15-29-3/h4-11,14,21,23H,12-13,15H2,1-3H3,(H,25,28)/t21-,23-/m0/s1
InChIKeyBQGBUORBVRBNRE-GMAHTHKFSA-N
XLogP4.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(1,5-dimethyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973917
(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxolane-3-carboxamide
CID 129479141
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
CID 138045892
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 66240217
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53075955
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-(methoxymethyl)benzamide
CID 75467449

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (CID 128966194) is (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is COCc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is BQGBUORBVRBNRE-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-22(17(2)27(26-16)20-10-5-4-6-11-20)23-21(12-13-30-23)24(28)25-19-9-7-8-18(14-19)15-29-3/h4-11,14,21,23H,12-13,15H2,1-3H3,(H,25,28)/t21-,23-/m0/s1.
What are the key properties of (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
(2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 128966194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).