4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine

C8H7ClN4 — CID 84665808

IUPAC4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(C3CC3)c12
InChIInChI=1S/C8H7ClN4/c9-7-5-6(4-1-2-4)12-13-8(5)11-3-10-7/h3-4H,1-2H2,(H,10,11,12,13)
InChIKeyGHJXWEJXIRJPGG-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.88
Rot. Bonds1

About 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine

4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 84665808) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID84665808
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(C3CC3)c12
InChIInChI=1S/C8H7ClN4/c9-7-5-6(4-1-2-4)12-13-8(5)11-3-10-7/h3-4H,1-2H2,(H,10,11,12,13)
InChIKeyGHJXWEJXIRJPGG-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 58931410
4,6-dichloro-3-(propan-2-yl)-1H-pyrazolo(3,4-d)pyrimidine
CID 76847035
4-chloro-3-ethyl-1H-pyrazolo(3,4-d)pyrimidine
CID 76847048
3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 89154211
(4-Amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
CID 316436
4-Amino-3-(2'-aminoethyl)pyrazolo[3,4-d]pyrimidine
CID 13714616
4-chloro-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 46864164
4-chloro-3-(2,2-dimethylpropyl)-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
CID 102286121
3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
CID 20604306
3-Ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350624
3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 57692095
4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 58762804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine (CID 84665808) is 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine is Clc1ncnc2n[nH]c(C3CC3)c12.
What is the InChIKey of 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is GHJXWEJXIRJPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-5-6(4-1-2-4)12-13-8(5)11-3-10-7/h3-4H,1-2H2,(H,10,11,12,13).
What are the key properties of 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine?
4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 84665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).