(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

C19H22N4O — CID 95897098

IUPAC(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCc1cc2nc(-c3ccccc3)cc(N3CCC[C@@H](O)CC3)n2n1
InChIInChI=1S/C19H22N4O/c1-14-12-18-20-17(15-6-3-2-4-7-15)13-19(23(18)21-14)22-10-5-8-16(24)9-11-22/h2-4,6-7,12-13,16,24H,5,8-11H2,1H3/t16-/m1/s1
InChIKeyNPQMIDIODQHLNM-MRXNPFEDSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds2

About (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (PubChem CID 95897098) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.

Molecular Properties

Compound Name(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
PubChem CID95897098
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCc1cc2nc(-c3ccccc3)cc(N3CCC[C@@H](O)CC3)n2n1
InChIInChI=1S/C19H22N4O/c1-14-12-18-20-17(15-6-3-2-4-7-15)13-19(23(18)21-14)22-10-5-8-16(24)9-11-22/h2-4,6-7,12-13,16,24H,5,8-11H2,1H3/t16-/m1/s1
InChIKeyNPQMIDIODQHLNM-MRXNPFEDSA-N
XLogP3.06
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The IUPAC name of (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (CID 95897098) is (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.
What is the SMILES notation for (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The canonical SMILES for (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is Cc1cc2nc(-c3ccccc3)cc(N3CCC[C@@H](O)CC3)n2n1.
What is the InChIKey of (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The InChIKey is NPQMIDIODQHLNM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-12-18-20-17(15-6-3-2-4-7-15)13-19(23(18)21-14)22-10-5-8-16(24)9-11-22/h2-4,6-7,12-13,16,24H,5,8-11H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol has a molecular weight of 322.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is sourced from PubChem (CID 95897098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).