N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H19N7 — CID 133378084

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2ncnc3c2cnn3-c2ccccc2)n[nH]1
InChIInChI=1S/C18H19N7/c1-12(8-14-9-13(2)23-24-14)22-17-16-10-21-25(18(16)20-11-19-17)15-6-4-3-5-7-15/h3-7,9-12H,8H2,1-2H3,(H,23,24)(H,19,20,22)
InChIKeyMAPJRAGJVMFYPJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133378084) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133378084
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2ncnc3c2cnn3-c2ccccc2)n[nH]1
InChIInChI=1S/C18H19N7/c1-12(8-14-9-13(2)23-24-14)22-17-16-10-21-25(18(16)20-11-19-17)15-6-4-3-5-7-15/h3-7,9-12H,8H2,1-2H3,(H,23,24)(H,19,20,22)
InChIKeyMAPJRAGJVMFYPJ-UHFFFAOYSA-N
XLogP2.89
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133378084) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(CC(C)Nc2ncnc3c2cnn3-c2ccccc2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MAPJRAGJVMFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12(8-14-9-13(2)23-24-14)22-17-16-10-21-25(18(16)20-11-19-17)15-6-4-3-5-7-15/h3-7,9-12H,8H2,1-2H3,(H,23,24)(H,19,20,22).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133378084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).