3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine

C9H11ClN4 — CID 164758112

IUPAC3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCC(C)c1ncnc2c(Cl)nn(C)c12
InChIInChI=1S/C9H11ClN4/c1-5(2)6-8-7(12-4-11-6)9(10)13-14(8)3/h4-5H,1-3H3
InChIKeyWWNKNKBAVPQRJG-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.14
Rot. Bonds1

About 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine

3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine (PubChem CID 164758112) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
PubChem CID164758112
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCC(C)c1ncnc2c(Cl)nn(C)c12
InChIInChI=1S/C9H11ClN4/c1-5(2)6-8-7(12-4-11-6)9(10)13-14(8)3/h4-5H,1-3H3
InChIKeyWWNKNKBAVPQRJG-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine
CID 164757921
4-chloro-5-iodo-6-propan-2-ylpyrimidine
CID 11471590
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
CID 159878349
7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 14006556
4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline
CID 164758216
3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
CID 20712563
6-bromo-3-chloro-1-methylpyrazolo[4,3-b]pyridine
CID 84728732
1-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83831978
5-chloro-6-propan-2-yl-1,2,4-triazine
CID 116822816
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
1,7-dimethyl-3-propan-2-ylpyrazolo[5,4-c]pyridine
CID 177020673
6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
CID 164757978

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine (CID 164758112) is 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine is CC(C)c1ncnc2c(Cl)nn(C)c12.
What is the InChIKey of 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The InChIKey is WWNKNKBAVPQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-5(2)6-8-7(12-4-11-6)9(10)13-14(8)3/h4-5H,1-3H3.
What are the key properties of 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine?
3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine has a molecular weight of 210.67 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 164758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).