N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide

C25H24FN5O — CID 57389565

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ccccn1
InChIInChI=1S/C25H24FN5O/c1-3-30(14-15-31-13-11-24(29-31)23-10-8-19(26)17-28-23)25(32)21-16-18(2)7-9-20(21)22-6-4-5-12-27-22/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyCIVGAFXCOVMURU-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.62
Rot. Bonds7

About N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide (PubChem CID 57389565) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide
PubChem CID57389565
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ccccn1
InChIInChI=1S/C25H24FN5O/c1-3-30(14-15-31-13-11-24(29-31)23-10-8-19(26)17-28-23)25(32)21-16-18(2)7-9-20(21)22-6-4-5-12-27-22/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyCIVGAFXCOVMURU-UHFFFAOYSA-N
XLogP4.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide (CID 57389565) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ccccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide?
The InChIKey is CIVGAFXCOVMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-3-30(14-15-31-13-11-24(29-31)23-10-8-19(26)17-28-23)25(32)21-16-18(2)7-9-20(21)22-6-4-5-12-27-22/h4-13,16-17H,3,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyridin-2-ylbenzamide is sourced from PubChem (CID 57389565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).