(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol

C20H24N4O2 — CID 56721409

IUPAC(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@@H]1O
InChIInChI=1S/C20H24N4O2/c1-14(2)26-19-13-23(12-18(19)25)10-15-8-21-20-17(9-22-24(20)11-15)16-6-4-3-5-7-16/h3-9,11,14,18-19,25H,10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyDZWJTWDHHSTXAC-OALUTQOASA-N
MW352.44 g/mol
LogP2.37
Rot. Bonds5

About (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 56721409) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID56721409
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@@H]1O
InChIInChI=1S/C20H24N4O2/c1-14(2)26-19-13-23(12-18(19)25)10-15-8-21-20-17(9-22-24(20)11-15)16-6-4-3-5-7-16/h3-9,11,14,18-19,25H,10,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyDZWJTWDHHSTXAC-OALUTQOASA-N
XLogP2.37
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol (CID 56721409) is (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is DZWJTWDHHSTXAC-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)26-19-13-23(12-18(19)25)10-15-8-21-20-17(9-22-24(20)11-15)16-6-4-3-5-7-16/h3-9,11,14,18-19,25H,10,12-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 352.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 56721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).