3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine

C18H17Cl2N3O — CID 58077294

IUPAC3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine
SMILESCc1[nH]nc(CCCc2cccnc2)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-12-18(24-16-9-14(19)8-15(20)10-16)17(23-22-12)6-2-4-13-5-3-7-21-11-13/h3,5,7-11H,2,4,6H2,1H3,(H,22,23)
InChIKeyLNKFHMCSPXYKTJ-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.39
Rot. Bonds6

About 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine

3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine (PubChem CID 58077294) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine.

Molecular Properties

Compound Name3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine
PubChem CID58077294
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine
SMILESCc1[nH]nc(CCCc2cccnc2)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-12-18(24-16-9-14(19)8-15(20)10-16)17(23-22-12)6-2-4-13-5-3-7-21-11-13/h3,5,7-11H,2,4,6H2,1H3,(H,22,23)
InChIKeyLNKFHMCSPXYKTJ-UHFFFAOYSA-N
XLogP5.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[[5-hydroxy-2-methyl-6-oxo-3-(3-pyridin-3-ylpropyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 143951140
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
CID 75421045
CID 58450299
CID 58450299
4,6-dimethoxy-2-(3-pyridin-3-ylpropyl)pyrimidine
CID 72885593
(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228189
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
CID 54369431
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
4-[5-(3-chlorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332805

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine?
The IUPAC name of 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine (CID 58077294) is 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine.
What is the SMILES notation for 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine?
The canonical SMILES for 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine is Cc1[nH]nc(CCCc2cccnc2)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine?
The InChIKey is LNKFHMCSPXYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-12-18(24-16-9-14(19)8-15(20)10-16)17(23-22-12)6-2-4-13-5-3-7-21-11-13/h3,5,7-11H,2,4,6H2,1H3,(H,22,23).
What are the key properties of 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine?
3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine has a molecular weight of 362.26 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3,5-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]propyl]pyridine is sourced from PubChem (CID 58077294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).