3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C16H19N5O3 — CID 164523081

IUPAC3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)O)nc2c(C#N)cnn12)C1CCOCC1
InChIInChI=1S/C16H19N5O3/c1-3-20(12-4-6-24-7-5-12)15-10(2)13(16(22)23)19-14-11(8-17)9-18-21(14)15/h9,12H,3-7H2,1-2H3,(H,22,23)
InChIKeySAKCHPUFHNDASV-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.61
Rot. Bonds4

About 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 164523081) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID164523081
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)O)nc2c(C#N)cnn12)C1CCOCC1
InChIInChI=1S/C16H19N5O3/c1-3-20(12-4-6-24-7-5-12)15-10(2)13(16(22)23)19-14-11(8-17)9-18-21(14)15/h9,12H,3-7H2,1-2H3,(H,22,23)
InChIKeySAKCHPUFHNDASV-UHFFFAOYSA-N
XLogP1.61
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 164523081) is 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCN(c1c(C)c(C(=O)O)nc2c(C#N)cnn12)C1CCOCC1.
What is the InChIKey of 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is SAKCHPUFHNDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-20(12-4-6-24-7-5-12)15-10(2)13(16(22)23)19-14-11(8-17)9-18-21(14)15/h9,12H,3-7H2,1-2H3,(H,22,23).
What are the key properties of 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-7-[ethyl(oxan-4-yl)amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 164523081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).