5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine

C21H21N3 — CID 158502447

IUPAC5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CC2CCC3=C(C2)c2ccccc2C3)n2nccc2n1
InChIInChI=1S/C21H21N3/c1-14-10-18(24-21(23-14)8-9-22-24)11-15-6-7-17-13-16-4-2-3-5-19(16)20(17)12-15/h2-5,8-10,15H,6-7,11-13H2,1H3
InChIKeySMRKLHAAKBYWDY-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.39
Rot. Bonds2

About 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine

5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 158502447) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID158502447
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CC2CCC3=C(C2)c2ccccc2C3)n2nccc2n1
InChIInChI=1S/C21H21N3/c1-14-10-18(24-21(23-14)8-9-22-24)11-15-6-7-17-13-16-4-2-3-5-19(16)20(17)12-15/h2-5,8-10,15H,6-7,11-13H2,1H3
InChIKeySMRKLHAAKBYWDY-UHFFFAOYSA-N
XLogP4.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine (CID 158502447) is 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(CC2CCC3=C(C2)c2ccccc2C3)n2nccc2n1.
What is the InChIKey of 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SMRKLHAAKBYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-14-10-18(24-21(23-14)8-9-22-24)11-15-6-7-17-13-16-4-2-3-5-19(16)20(17)12-15/h2-5,8-10,15H,6-7,11-13H2,1H3.
What are the key properties of 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158502447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).