3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride

C10H8ClN3O2 — CID 146381573

IUPAC3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
SMILESCOc1nn(-c2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C10H8ClN3O2/c1-16-10-8(9(11)15)6-14(13-10)7-3-2-4-12-5-7/h2-6H,1H3
InChIKeyOZTXIZZHYRFUIM-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.65
Rot. Bonds3

About 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride

3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride (PubChem CID 146381573) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
PubChem CID146381573
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
SMILESCOc1nn(-c2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C10H8ClN3O2/c1-16-10-8(9(11)15)6-14(13-10)7-3-2-4-12-5-7/h2-6H,1H3
InChIKeyOZTXIZZHYRFUIM-UHFFFAOYSA-N
XLogP1.65
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 163714827
1-(2-pyridin-3-ylindazol-4-yl)ethanone
CID 122516362
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
CID 171491004
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
CID 118032671
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122632980

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride?
The IUPAC name of 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride (CID 146381573) is 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride?
The canonical SMILES for 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride is COc1nn(-c2cccnc2)cc1C(=O)Cl.
What is the InChIKey of 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride?
The InChIKey is OZTXIZZHYRFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-16-10-8(9(11)15)6-14(13-10)7-3-2-4-12-5-7/h2-6H,1H3.
What are the key properties of 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride?
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride has a molecular weight of 237.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 146381573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).