N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H24N6 — CID 56898299

IUPACN,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CCc3cnn(C)c3)n2n1
InChIInChI=1S/C17H24N6/c1-12(2)15-9-17(23-16(19-15)8-13(3)20-23)21(4)7-6-14-10-18-22(5)11-14/h8-12H,6-7H2,1-5H3
InChIKeyAJBIZTUFLYFOAY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.57
Rot. Bonds5

About N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56898299) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56898299
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CCc3cnn(C)c3)n2n1
InChIInChI=1S/C17H24N6/c1-12(2)15-9-17(23-16(19-15)8-13(3)20-23)21(4)7-6-14-10-18-22(5)11-14/h8-12H,6-7H2,1-5H3
InChIKeyAJBIZTUFLYFOAY-UHFFFAOYSA-N
XLogP2.57
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56898299) is N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(N(C)CCc3cnn(C)c3)n2n1.
What is the InChIKey of N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AJBIZTUFLYFOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12(2)15-9-17(23-16(19-15)8-13(3)20-23)21(4)7-6-14-10-18-22(5)11-14/h8-12H,6-7H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 312.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).