1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide

C20H19ClN6O2 — CID 91947585

IUPAC1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN6O2/c21-15-6-1-2-7-17(15)29-14-26-13-10-16(25-26)20(28)22-11-5-9-19-24-23-18-8-3-4-12-27(18)19/h1-4,6-8,10,12-13H,5,9,11,14H2,(H,22,28)
InChIKeyKYZQICKEOJEMKZ-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.98
Rot. Bonds8

About 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide (PubChem CID 91947585) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide
PubChem CID91947585
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN6O2/c21-15-6-1-2-7-17(15)29-14-26-13-10-16(25-26)20(28)22-11-5-9-19-24-23-18-8-3-4-12-27(18)19/h1-4,6-8,10,12-13H,5,9,11,14H2,(H,22,28)
InChIKeyKYZQICKEOJEMKZ-UHFFFAOYSA-N
XLogP2.98
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
1-[(2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19281816
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
CID 103803871
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(2,4-dichlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19270392
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide (CID 91947585) is 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide is O=C(NCCCc1nnc2ccccn12)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is KYZQICKEOJEMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-15-6-1-2-7-17(15)29-14-26-13-10-16(25-26)20(28)22-11-5-9-19-24-23-18-8-3-4-12-27(18)19/h1-4,6-8,10,12-13H,5,9,11,14H2,(H,22,28).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91947585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).