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

C10H13ClN4 — CID 82018060

IUPAC7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine
SMILESCc1c2nc(C(C)C)nc(Cl)c2nn1C
InChIInChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)15(4)14-8(7)9(11)13-10/h5H,1-4H3
InChIKeyMOWGGVGDHLAILZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.45
Rot. Bonds1

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

7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine (PubChem CID 82018060) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine
PubChem CID82018060
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine
SMILESCc1c2nc(C(C)C)nc(Cl)c2nn1C
InChIInChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)15(4)14-8(7)9(11)13-10/h5H,1-4H3
InChIKeyMOWGGVGDHLAILZ-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 14006556
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine
CID 166898162
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 80970520
4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
CID 80978002
2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine
CID 166898151
3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
CID 20712563
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 164758112

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine (CID 82018060) is 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine is Cc1c2nc(C(C)C)nc(Cl)c2nn1C.
What is the InChIKey of 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine?
The InChIKey is MOWGGVGDHLAILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)15(4)14-8(7)9(11)13-10/h5H,1-4H3.
What are the key properties of 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine?
7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 82018060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).