N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide

C20H16F3N5O2 — CID 126740610

IUPACN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F
InChIInChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)
InChIKeyGJKURPNQOJQXPQ-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.59
Rot. Bonds6

About N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 126740610) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID126740610
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F
InChIInChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)
InChIKeyGJKURPNQOJQXPQ-UHFFFAOYSA-N
XLogP3.59
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide 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-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide (CID 126740610) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F.
What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GJKURPNQOJQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29).
What are the key properties of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 415.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 126740610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).