N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 56902883

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCc3c(C)n[nH]c3C)n2n1
InChIInChI=1S/C16H22N6/c1-9(2)14-7-15(22-16(18-14)6-10(3)21-22)17-8-13-11(4)19-20-12(13)5/h6-7,9,17H,8H2,1-5H3,(H,19,20)
InChIKeyJQIGWGVVMXBAQS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56902883) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56902883
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCc3c(C)n[nH]c3C)n2n1
InChIInChI=1S/C16H22N6/c1-9(2)14-7-15(22-16(18-14)6-10(3)21-22)17-8-13-11(4)19-20-12(13)5/h6-7,9,17H,8H2,1-5H3,(H,19,20)
InChIKeyJQIGWGVVMXBAQS-UHFFFAOYSA-N
XLogP3.11
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56902883) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NCc3c(C)n[nH]c3C)n2n1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JQIGWGVVMXBAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-9(2)14-7-15(22-16(18-14)6-10(3)21-22)17-8-13-11(4)19-20-12(13)5/h6-7,9,17H,8H2,1-5H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56902883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).