1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole

C22H24N2O3 — CID 11314519

IUPAC1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
SMILESCOc1ccc(-c2cc(C)nn2Cc2ccccc2)cc1O[C@H]1CCCO1
InChIInChI=1S/C22H24N2O3/c1-16-13-19(24(23-16)15-17-7-4-3-5-8-17)18-10-11-20(25-2)21(14-18)27-22-9-6-12-26-22/h3-5,7-8,10-11,13-14,22H,6,9,12,15H2,1-2H3/t22-/m0/s1
InChIKeyPOHLXZNMWKLKTC-QFIPXVFZSA-N
MW364.45 g/mol
LogP4.43
Rot. Bonds6

About 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole

1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole (PubChem CID 11314519) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
PubChem CID11314519
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
SMILESCOc1ccc(-c2cc(C)nn2Cc2ccccc2)cc1O[C@H]1CCCO1
InChIInChI=1S/C22H24N2O3/c1-16-13-19(24(23-16)15-17-7-4-3-5-8-17)18-10-11-20(25-2)21(14-18)27-22-9-6-12-26-22/h3-5,7-8,10-11,13-14,22H,6,9,12,15H2,1-2H3/t22-/m0/s1
InChIKeyPOHLXZNMWKLKTC-QFIPXVFZSA-N
XLogP4.43
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine
CID 11773572
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
CID 11175564
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]aniline
CID 11257068
1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
CID 11269373
ethyl 2-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11395869
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-3-(trifluoromethyl)pyrazol-1-yl] 3-methylbutanoate
CID 91238727
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole?
The IUPAC name of 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole (CID 11314519) is 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole.
What is the SMILES notation for 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole?
The canonical SMILES for 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole is COc1ccc(-c2cc(C)nn2Cc2ccccc2)cc1O[C@H]1CCCO1.
What is the InChIKey of 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole?
The InChIKey is POHLXZNMWKLKTC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-13-19(24(23-16)15-17-7-4-3-5-8-17)18-10-11-20(25-2)21(14-18)27-22-9-6-12-26-22/h3-5,7-8,10-11,13-14,22H,6,9,12,15H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole?
1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole has a molecular weight of 364.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole is sourced from PubChem (CID 11314519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).