4-(5-chloro-4-methoxypyrazol-1-yl)pyridine

C9H8ClN3O — CID 117233278

IUPAC4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
SMILESCOc1cnn(-c2ccncc2)c1Cl
InChIInChI=1S/C9H8ClN3O/c1-14-8-6-12-13(9(8)10)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyCWNVVLPQKVCWET-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.93
Rot. Bonds2

About 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine

4-(5-chloro-4-methoxypyrazol-1-yl)pyridine (PubChem CID 117233278) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
PubChem CID117233278
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
SMILESCOc1cnn(-c2ccncc2)c1Cl
InChIInChI=1S/C9H8ClN3O/c1-14-8-6-12-13(9(8)10)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyCWNVVLPQKVCWET-UHFFFAOYSA-N
XLogP1.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
CID 117233068
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
CID 86105894
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
CID 142673833
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine
CID 56956042
5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663
4-phenoxy-1-pyridin-4-ylpyrazole-5-carboxylic acid
CID 117233282
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine?
The IUPAC name of 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine (CID 117233278) is 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine?
The canonical SMILES for 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine is COc1cnn(-c2ccncc2)c1Cl.
What is the InChIKey of 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine?
The InChIKey is CWNVVLPQKVCWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-14-8-6-12-13(9(8)10)7-2-4-11-5-3-7/h2-6H,1H3.
What are the key properties of 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine?
4-(5-chloro-4-methoxypyrazol-1-yl)pyridine has a molecular weight of 209.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 117233278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).