N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H19N7 — CID 86808280

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C
InChIInChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18)
InChIKeyLOKCAAHXLQQVQX-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.50
Rot. Bonds3

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86808280) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86808280
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C
InChIInChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18)
InChIKeyLOKCAAHXLQQVQX-UHFFFAOYSA-N
XLogP2.50
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86808280) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LOKCAAHXLQQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86808280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).