2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate

C24H27N3O5 — CID 11582946

IUPAC2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate
SMILESCOc1ccc(-c2ccnn2CCOC(=O)NCc2ccccc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H27N3O5/c1-29-22-8-7-19(15-23(22)32-20-10-13-30-17-20)21-9-11-26-27(21)12-14-31-24(28)25-16-18-5-3-2-4-6-18/h2-9,11,15,20H,10,12-14,16-17H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyCDDHFQGUTLXXOC-HXUWFJFHSA-N
MW437.50 g/mol
LogP3.65
Rot. Bonds9

About 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate

2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate (PubChem CID 11582946) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate.

Molecular Properties

Compound Name2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate
PubChem CID11582946
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate
SMILESCOc1ccc(-c2ccnn2CCOC(=O)NCc2ccccc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H27N3O5/c1-29-22-8-7-19(15-23(22)32-20-10-13-30-17-20)21-9-11-26-27(21)12-14-31-24(28)25-16-18-5-3-2-4-6-18/h2-9,11,15,20H,10,12-14,16-17H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyCDDHFQGUTLXXOC-HXUWFJFHSA-N
XLogP3.65
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-methoxy-3-(oxolan-3-yloxy)phenyl]pyrazol-1-yl]ethyl N-butan-2-ylcarbamate
CID 59305089
2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 11510860
(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid
CID 69308614
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
1-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-3-phenylpropan-1-ol
CID 25178114
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate?
The IUPAC name of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate (CID 11582946) is 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate.
What is the SMILES notation for 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate?
The canonical SMILES for 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate is COc1ccc(-c2ccnn2CCOC(=O)NCc2ccccc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate?
The InChIKey is CDDHFQGUTLXXOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-29-22-8-7-19(15-23(22)32-20-10-13-30-17-20)21-9-11-26-27(21)12-14-31-24(28)25-16-18-5-3-2-4-6-18/h2-9,11,15,20H,10,12-14,16-17H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate?
2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate has a molecular weight of 437.50 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate is sourced from PubChem (CID 11582946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).