2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6 — CID 95896531

IUPAC2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H22N6/c1-14-12-19(26-20(22-14)15(2)16(3)24-26)23-18(13-25-11-7-10-21-25)17-8-5-4-6-9-17/h4-12,18,23H,13H2,1-3H3/t18-/m0/s1
InChIKeyKVBZPZCVJVAEKZ-SFHVURJKSA-N
MW346.44 g/mol
LogP3.70
Rot. Bonds5

About 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95896531) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95896531
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H22N6/c1-14-12-19(26-20(22-14)15(2)16(3)24-26)23-18(13-25-11-7-10-21-25)17-8-5-4-6-9-17/h4-12,18,23H,13H2,1-3H3/t18-/m0/s1
InChIKeyKVBZPZCVJVAEKZ-SFHVURJKSA-N
XLogP3.70
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
2,3,5-trimethyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95871017
2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708081
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 75376384
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
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
CID 95867432
4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
CID 95868311
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95896531) is 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@@H](Cn2cccn2)c2ccccc2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KVBZPZCVJVAEKZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N6/c1-14-12-19(26-20(22-14)15(2)16(3)24-26)23-18(13-25-11-7-10-21-25)17-8-5-4-6-9-17/h4-12,18,23H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of 2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.44 g/mol, XLogP of 3.70, 5 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-phenyl-2-pyrazol-1-ylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95896531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).