1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

C18H20N4O — CID 70725652

IUPAC1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1nn2c(N3CCC(O)C3)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C18H20N4O/c1-12-13(2)20-22-17(21-9-8-15(23)11-21)10-16(19-18(12)22)14-6-4-3-5-7-14/h3-7,10,15,23H,8-9,11H2,1-2H3
InChIKeyCYJJODHXGORGJN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (PubChem CID 70725652) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
PubChem CID70725652
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1nn2c(N3CCC(O)C3)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C18H20N4O/c1-12-13(2)20-22-17(21-9-8-15(23)11-21)10-16(19-18(12)22)14-6-4-3-5-7-14/h3-7,10,15,23H,8-9,11H2,1-2H3
InChIKeyCYJJODHXGORGJN-UHFFFAOYSA-N
XLogP2.58
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (CID 70725652) is 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is Cc1nn2c(N3CCC(O)C3)cc(-c3ccccc3)nc2c1C.
What is the InChIKey of 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The InChIKey is CYJJODHXGORGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-13(2)20-22-17(21-9-8-15(23)11-21)10-16(19-18(12)22)14-6-4-3-5-7-14/h3-7,10,15,23H,8-9,11H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol has a molecular weight of 308.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 70725652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).