2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid

C20H17ClN6O4 — CID 161069218

IUPAC2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)ccn2)cn1.Cn1ncc(-c2cc(C(=O)O)ccn2)c1Cl
InChIInChI=1S/C10H8ClN3O2.C10H9N3O2/c1-14-9(11)7(5-13-14)8-4-6(10(15)16)2-3-12-8;1-13-6-8(5-12-13)9-4-7(10(14)15)2-3-11-9/h2-5H,1H3,(H,15,16);2-6H,1H3,(H,14,15)
InChIKeyUEKYPFIURHKABN-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.01
Rot. Bonds4

About 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid

2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 161069218) has the molecular formula C20H17ClN6O4 and a molecular weight of 440.85 g/mol. Its IUPAC name is 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
PubChem CID161069218
Molecular FormulaC20H17ClN6O4
Molecular Weight440.85 g/mol
Exact Mass440.10
IUPAC Name2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)ccn2)cn1.Cn1ncc(-c2cc(C(=O)O)ccn2)c1Cl
InChIInChI=1S/C10H8ClN3O2.C10H9N3O2/c1-14-9(11)7(5-13-14)8-4-6(10(15)16)2-3-12-8;1-13-6-8(5-12-13)9-4-7(10(14)15)2-3-11-9/h2-5H,1H3,(H,15,16);2-6H,1H3,(H,14,15)
InChIKeyUEKYPFIURHKABN-UHFFFAOYSA-N
XLogP3.01
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72722417
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
CID 72950604
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
CID 72950605
6-[[6-Chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123463167
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-ethylpyrazole-3-carboxylic acid
CID 137638600
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrrole-3-carboxylic acid
CID 137643436
1-[(6-Chloro-2-propan-2-ylindolizin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57400734
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 1231783
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 137636144
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 137641401

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid (CID 161069218) is 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid is Cn1cc(-c2cc(C(=O)O)ccn2)cn1.Cn1ncc(-c2cc(C(=O)O)ccn2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is UEKYPFIURHKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2.C10H9N3O2/c1-14-9(11)7(5-13-14)8-4-6(10(15)16)2-3-12-8;1-13-6-8(5-12-13)9-4-7(10(14)15)2-3-11-9/h2-5H,1H3,(H,15,16);2-6H,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid?
2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 440.85 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylpyrazol-4-yl)pyridine-4-carboxylic acid;2-(1-methylpyrazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 161069218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).