2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid

C14H17N3O3 — CID 116803994

IUPAC2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCCCn1cc(Oc2cc(C)nc(C)c2C(=O)O)cn1
InChIInChI=1S/C14H17N3O3/c1-4-5-17-8-11(7-15-17)20-12-6-9(2)16-10(3)13(12)14(18)19/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyPYSSHDVDQVLHDC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.80
Rot. Bonds5

About 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid

2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 116803994) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
PubChem CID116803994
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCCCn1cc(Oc2cc(C)nc(C)c2C(=O)O)cn1
InChIInChI=1S/C14H17N3O3/c1-4-5-17-8-11(7-15-17)20-12-6-9(2)16-10(3)13(12)14(18)19/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyPYSSHDVDQVLHDC-UHFFFAOYSA-N
XLogP2.80
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 107726792
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 116801912
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800467

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid (CID 116803994) is 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid is CCCn1cc(Oc2cc(C)nc(C)c2C(=O)O)cn1.
What is the InChIKey of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is PYSSHDVDQVLHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-5-17-8-11(7-15-17)20-12-6-9(2)16-10(3)13(12)14(18)19/h6-8H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 116803994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).