5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid

C11H11N3O2 — CID 83534624

IUPAC5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2ccccn2)n1
InChIInChI=1S/C11H11N3O2/c1-8-6-10(11(15)16)14(13-8)7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyRDAPPXKAEOJEKZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds3

About 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid

5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 83534624) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID83534624
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(Cc2ccccn2)n1
InChIInChI=1S/C11H11N3O2/c1-8-6-10(11(15)16)14(13-8)7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyRDAPPXKAEOJEKZ-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine
CID 59281597
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
5-methyl-2-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxylic acid
CID 82293348
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859399
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71971474
2-(2,2-difluoroethyl)-5-methylpyrazole-3-carboxylic acid
CID 59398486
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
3-ethyl-1-[(2-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 82294116

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid (CID 83534624) is 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(Cc2ccccn2)n1.
What is the InChIKey of 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is RDAPPXKAEOJEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-6-10(11(15)16)14(13-8)7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid?
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83534624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).