1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol

C17H27N5O — CID 56891397

IUPAC1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cc2nc(C(C)C)cc(NCC(O)CN3CCCC3)n2n1
InChIInChI=1S/C17H27N5O/c1-12(2)15-9-16(22-17(19-15)8-13(3)20-22)18-10-14(23)11-21-6-4-5-7-21/h8-9,12,14,18,23H,4-7,10-11H2,1-3H3
InChIKeyHMGGHOGUDFLHGI-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.03
Rot. Bonds6

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

1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 56891397) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID56891397
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cc2nc(C(C)C)cc(NCC(O)CN3CCCC3)n2n1
InChIInChI=1S/C17H27N5O/c1-12(2)15-9-16(22-17(19-15)8-13(3)20-22)18-10-14(23)11-21-6-4-5-7-21/h8-9,12,14,18,23H,4-7,10-11H2,1-3H3
InChIKeyHMGGHOGUDFLHGI-UHFFFAOYSA-N
XLogP2.03
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Related Compounds

[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779
N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56900581
trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 56885324
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56886694
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56900272
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
CID 11694833
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
1-(azepan-1-yl)-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
CID 107644260

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 56891397) is 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1cc2nc(C(C)C)cc(NCC(O)CN3CCCC3)n2n1.
What is the InChIKey of 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HMGGHOGUDFLHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)15-9-16(22-17(19-15)8-13(3)20-22)18-10-14(23)11-21-6-4-5-7-21/h8-9,12,14,18,23H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 317.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 56891397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).