4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C16H21N7 — CID 74767047

IUPAC4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCn1nccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H21N7/c1-21-14(5-6-19-21)15-13-11-20-23(16(13)18-12-17-15)10-9-22-7-3-2-4-8-22/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyDQMNTRUECKRHDK-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.71
Rot. Bonds4

About 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767047) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767047
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCn1nccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H21N7/c1-21-14(5-6-19-21)15-13-11-20-23(16(13)18-12-17-15)10-9-22-7-3-2-4-8-22/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyDQMNTRUECKRHDK-UHFFFAOYSA-N
XLogP1.71
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767047) is 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Cn1nccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is DQMNTRUECKRHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-21-14(5-6-19-21)15-13-11-20-23(16(13)18-12-17-15)10-9-22-7-3-2-4-8-22/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 311.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).