3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

C17H15N3O2 — CID 153148612

IUPAC3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1
InChIInChI=1S/C17H15N3O2/c1-20-11-15(12-5-3-2-4-6-12)16(19-20)9-13-10-18-8-7-14(13)17(21)22/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyWAAMVWCWDABAFJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.77
Rot. Bonds4

About 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 153148612) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID153148612
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1
InChIInChI=1S/C17H15N3O2/c1-20-11-15(12-5-3-2-4-6-12)16(19-20)9-13-10-18-8-7-14(13)17(21)22/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyWAAMVWCWDABAFJ-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 160561273
3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 158074720
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158842110
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-(1-propylpyrazol-4-yl)pyridine-4-carboxylic acid
CID 66474868
methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylate;1-methyl-3-phenylpyrazol-5-amine;3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
CID 159486109
1-methyl-4-phenylpyrazole-3-carboxamide
CID 71145159
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 153148612) is 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is Cn1cc(-c2ccccc2)c(Cc2cnccc2C(=O)O)n1.
What is the InChIKey of 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is WAAMVWCWDABAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-11-15(12-5-3-2-4-6-12)16(19-20)9-13-10-18-8-7-14(13)17(21)22/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 153148612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).