(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C20H26N4O — CID 95874013

IUPAC(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCc1ccc([C@@H](CCO)Nc2cc(C(C)C)nc3cc(C)nn23)cc1
InChIInChI=1S/C20H26N4O/c1-13(2)18-12-20(24-19(22-18)11-15(4)23-24)21-17(9-10-25)16-7-5-14(3)6-8-16/h5-8,11-13,17,21,25H,9-10H2,1-4H3/t17-/m1/s1
InChIKeyQDYWEYDIXVXKAS-QGZVFWFLSA-N
MW338.46 g/mol
LogP4.01
Rot. Bonds6

About (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 95874013) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID95874013
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCc1ccc([C@@H](CCO)Nc2cc(C(C)C)nc3cc(C)nn23)cc1
InChIInChI=1S/C20H26N4O/c1-13(2)18-12-20(24-19(22-18)11-15(4)23-24)21-17(9-10-25)16-7-5-14(3)6-8-16/h5-8,11-13,17,21,25H,9-10H2,1-4H3/t17-/m1/s1
InChIKeyQDYWEYDIXVXKAS-QGZVFWFLSA-N
XLogP4.01
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 95874013) is (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is Cc1ccc([C@@H](CCO)Nc2cc(C(C)C)nc3cc(C)nn23)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is QDYWEYDIXVXKAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)18-12-20(24-19(22-18)11-15(4)23-24)21-17(9-10-25)16-7-5-14(3)6-8-16/h5-8,11-13,17,21,25H,9-10H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 338.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 95874013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).