(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

C19H24N4O2 — CID 95725588

IUPAC(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCOc1ccc([C@](C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3/t19-/m1/s1
InChIKeyGWNZLQLFYZXNHP-LJQANCHMSA-N
MW340.43 g/mol
LogP3.18
Rot. Bonds6

About (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (PubChem CID 95725588) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
PubChem CID95725588
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCOc1ccc([C@](C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3/t19-/m1/s1
InChIKeyGWNZLQLFYZXNHP-LJQANCHMSA-N
XLogP3.18
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56899989
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973
1-(4-tert-butylphenyl)-2-[7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207266
5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95714013
(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
CID 95718721
(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95889222
5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95891617
(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol
CID 97116725
4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 56888706

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (CID 95725588) is (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is COc1ccc([C@](C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The InChIKey is GWNZLQLFYZXNHP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3/t19-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is sourced from PubChem (CID 95725588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).