6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine

C8H7ClN4 — CID 134607575

IUPAC6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
SMILESClc1ncc2cnn(C3CC3)c2n1
InChIInChI=1S/C8H7ClN4/c9-8-10-3-5-4-11-13(6-1-2-6)7(5)12-8/h3-4,6H,1-2H2
InChIKeyMIFVINHFNGCKPR-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.81
Rot. Bonds1

About 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine

6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine (PubChem CID 134607575) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
PubChem CID134607575
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
SMILESClc1ncc2cnn(C3CC3)c2n1
InChIInChI=1S/C8H7ClN4/c9-8-10-3-5-4-11-13(6-1-2-6)7(5)12-8/h3-4,6H,1-2H2
InChIKeyMIFVINHFNGCKPR-UHFFFAOYSA-N
XLogP1.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1-carboxylate
CID 165171718
5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 87202907
6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
CID 172599841
6-chloro-1-[(4-methylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidine
CID 58056409
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine
CID 170775892
6-chloro-1-cyclobutylpyrazolo[3,4-b]pyrazine
CID 175891792
[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
CID 165171963
6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 165171615
6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
CID 89449448
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
6-chloro-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 166460362

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine (CID 134607575) is 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine is Clc1ncc2cnn(C3CC3)c2n1.
What is the InChIKey of 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine?
The InChIKey is MIFVINHFNGCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-8-10-3-5-4-11-13(6-1-2-6)7(5)12-8/h3-4,6H,1-2H2.
What are the key properties of 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine?
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 134607575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).