5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

C11H11N3O2 — CID 170756022

IUPAC5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cnn(Cc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C11H11N3O2/c1-8-4-13-14(6-8)7-9-2-3-10(11(15)16)12-5-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJLUABTGKLYBEQD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds3

About 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 170756022) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID170756022
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cnn(Cc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C11H11N3O2/c1-8-4-13-14(6-8)7-9-2-3-10(11(15)16)12-5-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJLUABTGKLYBEQD-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-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
CID 150282683
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63073046
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
11-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxylic acid
CID 140757488
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
CID 60873102
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 170756022) is 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is Cc1cnn(Cc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is JLUABTGKLYBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-4-13-14(6-8)7-9-2-3-10(11(15)16)12-5-9/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-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-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170756022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).