2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid

C13H15N3O2S — CID 113380392

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Sc2cnn(C)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyRDPSHUMXNCTGMN-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.62
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid

2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid (PubChem CID 113380392) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
PubChem CID113380392
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Sc2cnn(C)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyRDPSHUMXNCTGMN-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
CID 116792579
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113379579
2-(3-methoxypropylsulfanyl)-6-propylpyridine-4-carboxylic acid
CID 113380405
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80963512
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
CID 115491227
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
4-(6-propylpyrimidin-4-yl)sulfanylbenzoic acid
CID 61239753
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113380086

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid (CID 113380392) is 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(Sc2cnn(C)c2)n1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid?
The InChIKey is RDPSHUMXNCTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-4-10-5-9(13(17)18)6-12(15-10)19-11-7-14-16(2)8-11/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid?
2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).