2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 95871017

IUPAC2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(C)nc2c(C)c(C)nn12)c1ccnn1C
InChIInChI=1S/C16H22N6/c1-6-13(14-7-8-17-21(14)5)19-15-9-10(2)18-16-11(3)12(4)20-22(15)16/h7-9,13,19H,6H2,1-5H3/t13-/m1/s1
InChIKeyKHKBSTRGGDBZPC-CYBMUJFWSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds4

About 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95871017) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95871017
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(C)nc2c(C)c(C)nn12)c1ccnn1C
InChIInChI=1S/C16H22N6/c1-6-13(14-7-8-17-21(14)5)19-15-9-10(2)18-16-11(3)12(4)20-22(15)16/h7-9,13,19H,6H2,1-5H3/t13-/m1/s1
InChIKeyKHKBSTRGGDBZPC-CYBMUJFWSA-N
XLogP2.95
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896531
(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881167
(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164
N-[(1R)-1-(furan-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95870518
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
CID 95867432
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
2,5-dimethyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95872610
2,5-dimethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56898576
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
2,3,5-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56917582

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95871017) is 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](Nc1cc(C)nc2c(C)c(C)nn12)c1ccnn1C.
What is the InChIKey of 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KHKBSTRGGDBZPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6/c1-6-13(14-7-8-17-21(14)5)19-15-9-10(2)18-16-11(3)12(4)20-22(15)16/h7-9,13,19H,6H2,1-5H3/t13-/m1/s1.
What are the key properties of 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95871017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).