7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C21H26N4 — CID 8741386

IUPAC7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc23)cc1
InChIInChI=1S/C21H26N4/c1-14-5-7-18(8-6-14)19-11-22-25-20(10-17(4)23-21(19)25)24-12-15(2)9-16(3)13-24/h5-8,10-11,15-16H,9,12-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyKANMRAOPCDEPFF-HOTGVXAUSA-N
MW334.47 g/mol
LogP4.50
Rot. Bonds2

About 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 8741386) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID8741386
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc23)cc1
InChIInChI=1S/C21H26N4/c1-14-5-7-18(8-6-14)19-11-22-25-20(10-17(4)23-21(19)25)24-12-15(2)9-16(3)13-24/h5-8,10-11,15-16H,9,12-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyKANMRAOPCDEPFF-HOTGVXAUSA-N
XLogP4.50
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 8741386) is 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cnn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc23)cc1.
What is the InChIKey of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KANMRAOPCDEPFF-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H26N4/c1-14-5-7-18(8-6-14)19-11-22-25-20(10-17(4)23-21(19)25)24-12-15(2)9-16(3)13-24/h5-8,10-11,15-16H,9,12-13H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 334.47 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 8741386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).