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5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H25N5 — CID 95868991

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC[C@@H]2CCCNC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5/c1-4-14-8-15(18-10-13-6-5-7-17-9-13)21-16(19-14)11(2)12(3)20-21/h8,13,17-18H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyLWLHKUHTUNKSCD-CYBMUJFWSA-N
MW287.41 g/mol
LogP2.32
Rot. Bonds4

About 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95868991) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95868991
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC[C@@H]2CCCNC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5/c1-4-14-8-15(18-10-13-6-5-7-17-9-13)21-16(19-14)11(2)12(3)20-21/h8,13,17-18H,4-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyLWLHKUHTUNKSCD-CYBMUJFWSA-N
XLogP2.32
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95868991) is 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC[C@@H]2CCCNC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LWLHKUHTUNKSCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-14-8-15(18-10-13-6-5-7-17-9-13)21-16(19-14)11(2)12(3)20-21/h8,13,17-18H,4-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95868991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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