N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H21N7 — CID 53323388

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C16H21N7/c1-17-15-6-14(11-4-3-5-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(2)10-12/h6,8-11,17-18H,3-5,7H2,1-2H3
InChIKeyODXZNDXFOXLWQP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53323388) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53323388
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C16H21N7/c1-17-15-6-14(11-4-3-5-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(2)10-12/h6,8-11,17-18H,3-5,7H2,1-2H3
InChIKeyODXZNDXFOXLWQP-UHFFFAOYSA-N
XLogP1.64
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53323388) is N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ODXZNDXFOXLWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-17-15-6-14(11-4-3-5-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(2)10-12/h6,8-11,17-18H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53323388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).