5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine

C8H10N4 — CID 68762903

IUPAC5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCC(C)c1ncc2[nH]ncc2n1
InChIInChI=1S/C8H10N4/c1-5(2)8-9-3-7-6(11-8)4-10-12-7/h3-5H,1-2H3,(H,10,12)
InChIKeyUKNFQEUCCBYXMV-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.48
Rot. Bonds1

About 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine

5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 68762903) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID68762903
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCC(C)c1ncc2[nH]ncc2n1
InChIInChI=1S/C8H10N4/c1-5(2)8-9-3-7-6(11-8)4-10-12-7/h3-5H,1-2H3,(H,10,12)
InChIKeyUKNFQEUCCBYXMV-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine (CID 68762903) is 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine is CC(C)c1ncc2[nH]ncc2n1.
What is the InChIKey of 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is UKNFQEUCCBYXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(2)8-9-3-7-6(11-8)4-10-12-7/h3-5H,1-2H3,(H,10,12).
What are the key properties of 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine?
5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 162.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 68762903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).