4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine

C19H17ClN6O — CID 11349529

IUPAC4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCC(Oc1nnc(-c2ccncc2)n1C)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H17ClN6O/c1-13(15-11-22-26(12-15)17-5-3-4-16(20)10-17)27-19-24-23-18(25(19)2)14-6-8-21-9-7-14/h3-13H,1-2H3
InChIKeyQVJHKDQDIDLCAR-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.86
Rot. Bonds5

About 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine

4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 11349529) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID11349529
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCC(Oc1nnc(-c2ccncc2)n1C)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H17ClN6O/c1-13(15-11-22-26(12-15)17-5-3-4-16(20)10-17)27-19-24-23-18(25(19)2)14-6-8-21-9-7-14/h3-13H,1-2H3
InChIKeyQVJHKDQDIDLCAR-UHFFFAOYSA-N
XLogP3.86
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

4-[5-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine;[2-(3-chlorophenyl)tetrazol-5-yl]methyl-triphenylphosphanium
CID 87888129
2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
CID 143797429
3-[1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-5-phenyl-1,2,4-oxadiazole
CID 58939097
N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine
CID 174524125
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876
3-(3-chlorophenyl)-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
CID 91616542
4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 24853276
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
2-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[(Z)-1,3-diamino-3-cyclopropylprop-2-enylidene]propanamide
CID 176713847
1-[3-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 79168154

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 11349529) is 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine is CC(Oc1nnc(-c2ccncc2)n1C)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is QVJHKDQDIDLCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-13(15-11-22-26(12-15)17-5-3-4-16(20)10-17)27-19-24-23-18(25(19)2)14-6-8-21-9-7-14/h3-13H,1-2H3.
What are the key properties of 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine?
4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 380.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 11349529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).