(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid

C23H24FN3O5 — CID 69308614

IUPAC(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid
SMILESCOc1ccc(-c2ccnn2CCN(C(=O)O)c2ccccc2F)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24FN3O5/c1-30-21-7-6-16(14-22(21)32-17-9-13-31-15-17)19-8-10-25-27(19)12-11-26(23(28)29)20-5-3-2-4-18(20)24/h2-8,10,14,17H,9,11-13,15H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyHREKTWUWPPSBKR-QGZVFWFLSA-N
MW441.46 g/mol
LogP4.05
Rot. Bonds8

About (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid

(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid (PubChem CID 69308614) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid
PubChem CID69308614
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid
SMILESCOc1ccc(-c2ccnn2CCN(C(=O)O)c2ccccc2F)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H24FN3O5/c1-30-21-7-6-16(14-22(21)32-17-9-13-31-15-17)19-8-10-25-27(19)12-11-26(23(28)29)20-5-3-2-4-18(20)24/h2-8,10,14,17H,9,11-13,15H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyHREKTWUWPPSBKR-QGZVFWFLSA-N
XLogP4.05
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-benzylcarbamate
CID 11582946
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
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575
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
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
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
3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid?
The IUPAC name of (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid (CID 69308614) is (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid.
What is the SMILES notation for (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid?
The canonical SMILES for (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid is COc1ccc(-c2ccnn2CCN(C(=O)O)c2ccccc2F)cc1O[C@@H]1CCOC1.
What is the InChIKey of (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid?
The InChIKey is HREKTWUWPPSBKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-30-21-7-6-16(14-22(21)32-17-9-13-31-15-17)19-8-10-25-27(19)12-11-26(23(28)29)20-5-3-2-4-18(20)24/h2-8,10,14,17H,9,11-13,15H2,1H3,(H,28,29)/t17-/m1/s1.
What are the key properties of (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid?
(2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid has a molecular weight of 441.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl]carbamic acid is sourced from PubChem (CID 69308614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).