N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

C22H22FN7O — CID 57390049

IUPACN-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1cc(-c2ccc(F)cn2)cn1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O/c1-3-28(10-11-29-15-17(13-27-29)20-6-5-18(23)14-24-20)22(31)19-12-16(2)4-7-21(19)30-25-8-9-26-30/h4-9,12-15H,3,10-11H2,1-2H3
InChIKeyHLZBQNMXGUNHJV-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.14
Rot. Bonds7

About N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 57390049) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID57390049
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC NameN-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1cc(-c2ccc(F)cn2)cn1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O/c1-3-28(10-11-29-15-17(13-27-29)20-6-5-18(23)14-24-20)22(31)19-12-16(2)4-7-21(19)30-25-8-9-26-30/h4-9,12-15H,3,10-11H2,1-2H3
InChIKeyHLZBQNMXGUNHJV-UHFFFAOYSA-N
XLogP3.14
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 57390049) is N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCn1cc(-c2ccc(F)cn2)cn1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is HLZBQNMXGUNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-3-28(10-11-29-15-17(13-27-29)20-6-5-18(23)14-24-20)22(31)19-12-16(2)4-7-21(19)30-25-8-9-26-30/h4-9,12-15H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57390049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).