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

C23H24ClN3O5 — CID 11510860

IUPAC2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCOc1ccc(-c2ccnn2CCOC(=O)Nc2ccc(Cl)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24ClN3O5/c1-29-21-7-2-16(14-22(21)32-19-9-12-30-15-19)20-8-10-25-27(20)11-13-31-23(28)26-18-5-3-17(24)4-6-18/h2-8,10,14,19H,9,11-13,15H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKVYAXJGONTZZRY-LJQANCHMSA-N
MW457.91 g/mol
LogP4.63
Rot. Bonds8

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

2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 11510860) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID11510860
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCOc1ccc(-c2ccnn2CCOC(=O)Nc2ccc(Cl)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24ClN3O5/c1-29-21-7-2-16(14-22(21)32-19-9-12-30-15-19)20-8-10-25-27(20)11-13-31-23(28)26-18-5-3-17(24)4-6-18/h2-8,10,14,19H,9,11-13,15H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKVYAXJGONTZZRY-LJQANCHMSA-N
XLogP4.63
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 11510860) is 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is COc1ccc(-c2ccnn2CCOC(=O)Nc2ccc(Cl)cc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is KVYAXJGONTZZRY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-29-21-7-2-16(14-22(21)32-19-9-12-30-15-19)20-8-10-25-27(20)11-13-31-23(28)26-18-5-3-17(24)4-6-18/h2-8,10,14,19H,9,11-13,15H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 457.91 g/mol, XLogP of 4.63, 8 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-(4-chlorophenyl)carbamate is sourced from PubChem (CID 11510860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).