5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine

C8H8Cl2N4 — CID 91620475

IUPAC5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCn1ncc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C8H8Cl2N4/c1-2-3-14-6-5(4-11-14)12-8(10)13-7(6)9/h4H,2-3H2,1H3
InChIKeyAUAQJVFVBXPBSW-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.54
Rot. Bonds2

About 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine

5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 91620475) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine
PubChem CID91620475
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCn1ncc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C8H8Cl2N4/c1-2-3-14-6-5(4-11-14)12-8(10)13-7(6)9/h4H,2-3H2,1H3
InChIKeyAUAQJVFVBXPBSW-UHFFFAOYSA-N
XLogP2.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1-propylindazol-7-yl)methanol
CID 118251633
7-iodo-1-propylpyrazolo[4,3-b]pyridine
CID 67470502
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
tert-butyl 3-(5-chloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)propanoate
CID 154606669
4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
CID 141420742
5-chloro-1-(2-ethoxyethyl)-N-(6-methylpyrimidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 88587082
1-[(E)-4-bromobut-2-enyl]-5-chloro-7-methoxypyrazolo[4,5-d]pyrimidine
CID 154606656
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
N-butyl-5-chloro-1-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 163677023

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine (CID 91620475) is 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine is CCCn1ncc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is AUAQJVFVBXPBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c1-2-3-14-6-5(4-11-14)12-8(10)13-7(6)9/h4H,2-3H2,1H3.
What are the key properties of 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine?
5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 231.09 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 91620475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).