3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide

C24H28FN3O3 — CID 46042576

IUPAC3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2ccccc2F)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)27(4)23(29)15-14-20-17(3)26-28(18-10-12-19(30-5)13-11-18)24(20)31-22-9-7-6-8-21(22)25/h6-13,16H,14-15H2,1-5H3
InChIKeyXSZXJRAXMUJRFQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.92
Rot. Bonds8

About 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide

3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 46042576) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
PubChem CID46042576
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2ccccc2F)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)27(4)23(29)15-14-20-17(3)26-28(18-10-12-19(30-5)13-11-18)24(20)31-22-9-7-6-8-21(22)25/h6-13,16H,14-15H2,1-5H3
InChIKeyXSZXJRAXMUJRFQ-UHFFFAOYSA-N
XLogP4.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (CID 46042576) is 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2ccccc2F)cc1.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is XSZXJRAXMUJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(2)27(4)23(29)15-14-20-17(3)26-28(18-10-12-19(30-5)13-11-18)24(20)31-22-9-7-6-8-21(22)25/h6-13,16H,14-15H2,1-5H3.
What are the key properties of 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 425.50 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 46042576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).