4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine

C11H13ClN4 — CID 61273105

IUPAC4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cnn(C(C)C3CC3)c2n1
InChIInChI=1S/C11H13ClN4/c1-6(8-3-4-8)16-11-9(5-13-16)10(12)14-7(2)15-11/h5-6,8H,3-4H2,1-2H3
InChIKeySIWFARGIKZKVMJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine

4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 61273105) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine
PubChem CID61273105
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cnn(C(C)C3CC3)c2n1
InChIInChI=1S/C11H13ClN4/c1-6(8-3-4-8)16-11-9(5-13-16)10(12)14-7(2)15-11/h5-6,8H,3-4H2,1-2H3
InChIKeySIWFARGIKZKVMJ-UHFFFAOYSA-N
XLogP2.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine (CID 61273105) is 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine is Cc1nc(Cl)c2cnn(C(C)C3CC3)c2n1.
What is the InChIKey of 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is SIWFARGIKZKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-6(8-3-4-8)16-11-9(5-13-16)10(12)14-7(2)15-11/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-cyclopropylethyl)-6-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 61273105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).