N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide

C21H21FN4O2 — CID 72718676

IUPACN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C21H21FN4O2/c22-17-3-5-18(6-4-17)28-14-21(27)24-11-12-26-20(16-1-2-16)13-19(25-26)15-7-9-23-10-8-15/h3-10,13,16H,1-2,11-12,14H2,(H,24,27)
InChIKeyXGKSKRWMGWOFDF-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 72718676) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID72718676
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C21H21FN4O2/c22-17-3-5-18(6-4-17)28-14-21(27)24-11-12-26-20(16-1-2-16)13-19(25-26)15-7-9-23-10-8-15/h3-10,13,16H,1-2,11-12,14H2,(H,24,27)
InChIKeyXGKSKRWMGWOFDF-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide (CID 72718676) is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is XGKSKRWMGWOFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-3-5-18(6-4-17)28-14-21(27)24-11-12-26-20(16-1-2-16)13-19(25-26)15-7-9-23-10-8-15/h3-10,13,16H,1-2,11-12,14H2,(H,24,27).
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 72718676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).