(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate

C15H20N4O2 — CID 116803064

IUPAC(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)17-14-7-5-6-13(18-14)15(20)21-12-8-16-19(9-12)11(3)4/h5-11H,1-4H3,(H,17,18)
InChIKeyLEOAPFHTRNASLF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.90
Rot. Bonds5

About (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate

(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 116803064) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID116803064
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)17-14-7-5-6-13(18-14)15(20)21-12-8-16-19(9-12)11(3)4/h5-11H,1-4H3,(H,17,18)
InChIKeyLEOAPFHTRNASLF-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498680
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498845
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
2,2,2-trifluoroethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323737
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 116803064) is (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is LEOAPFHTRNASLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)17-14-7-5-6-13(18-14)15(20)21-12-8-16-19(9-12)11(3)4/h5-11H,1-4H3,(H,17,18).
What are the key properties of (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 116803064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).