3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C14H17N7 — CID 139336336

IUPAC3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnn(C3CC3)c2)c2c(N)ncnc21
InChIInChI=1S/C14H17N7/c1-8(2)21-14-11(13(15)16-7-17-14)12(19-21)9-5-18-20(6-9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyUQASIFUQFCGATI-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.19
Rot. Bonds3

About 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139336336) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139336336
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cnn(C3CC3)c2)c2c(N)ncnc21
InChIInChI=1S/C14H17N7/c1-8(2)21-14-11(13(15)16-7-17-14)12(19-21)9-5-18-20(6-9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyUQASIFUQFCGATI-UHFFFAOYSA-N
XLogP2.19
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175850012
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
CID 24905287
3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331005
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
CID 24905288
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
3-[2-(cyclopropylmethyl)-1,3-benzothiazol-6-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;methane
CID 159135902
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139336336) is 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cnn(C3CC3)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UQASIFUQFCGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-8(2)21-14-11(13(15)16-7-17-14)12(19-21)9-5-18-20(6-9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).