propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

C14H17N3O2 — CID 55644847

IUPACpropan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCc1cc(C)n(-c2ccc(C(=O)OC(C)C)cn2)n1
InChIInChI=1S/C14H17N3O2/c1-9(2)19-14(18)12-5-6-13(15-8-12)17-11(4)7-10(3)16-17/h5-9H,1-4H3
InChIKeyZXDOTGSFTKIASA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.45
Rot. Bonds3

About propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate (PubChem CID 55644847) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
PubChem CID55644847
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namepropan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCc1cc(C)n(-c2ccc(C(=O)OC(C)C)cn2)n1
InChIInChI=1S/C14H17N3O2/c1-9(2)19-14(18)12-5-6-13(15-8-12)17-11(4)7-10(3)16-17/h5-9H,1-4H3
InChIKeyZXDOTGSFTKIASA-UHFFFAOYSA-N
XLogP2.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-propan-2-yloxyethyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704824
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428022
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704026
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644639
(2,4-dichlorophenyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55667631
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704859
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524167
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644643
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate (CID 55644847) is propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate is Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cn2)n1.
What is the InChIKey of propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The InChIKey is ZXDOTGSFTKIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)19-14(18)12-5-6-13(15-8-12)17-11(4)7-10(3)16-17/h5-9H,1-4H3.
What are the key properties of propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 55644847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).