6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C10H10N6 — CID 178105173

IUPAC6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1ccn(-c2nc(C)nc3[nH]ncc23)n1
InChIInChI=1S/C10H10N6/c1-6-3-4-16(15-6)10-8-5-11-14-9(8)12-7(2)13-10/h3-5H,1-2H3,(H,11,12,13,14)
InChIKeyNXYCNCVRCXQLLG-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.16
Rot. Bonds1

About 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 178105173) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID178105173
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1ccn(-c2nc(C)nc3[nH]ncc23)n1
InChIInChI=1S/C10H10N6/c1-6-3-4-16(15-6)10-8-5-11-14-9(8)12-7(2)13-10/h3-5H,1-2H3,(H,11,12,13,14)
InChIKeyNXYCNCVRCXQLLG-UHFFFAOYSA-N
XLogP1.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 178105173) is 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is Cc1ccn(-c2nc(C)nc3[nH]ncc23)n1.
What is the InChIKey of 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is NXYCNCVRCXQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-6-3-4-16(15-6)10-8-5-11-14-9(8)12-7(2)13-10/h3-5H,1-2H3,(H,11,12,13,14).
What are the key properties of 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 214.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylpyrazol-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 178105173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).