2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C18H23N5O — CID 25125016

IUPAC2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12
InChIInChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyHIPPSPXQODHOFI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.87
Rot. Bonds7

About 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 25125016) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID25125016
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12
InChIInChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyHIPPSPXQODHOFI-UHFFFAOYSA-N
XLogP2.87
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol with MolForge

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Related Compounds

(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]but-3-en-1-ol
CID 25124679
7-N-benzyl-3-propan-2-yl-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 123515972
4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 123541941
(3R,4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-chloropiperidin-4-ol
CID 118329747
2-[[3-bromo-7-[[4-(methylamino)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 143090038
2-[[7-[(4-aminophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 172873472
5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 166529556
2-[[4-(benzylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol
CID 68937540
2-chloro-N-[3-[[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]acetamide
CID 170358267
1-[7-[(3-nitrophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 170358091
(3R,4R)-4-[[[7-(1,3-benzothiazol-2-ylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166594748
CID 89056124
CID 89056124

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 25125016) is 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is CC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12.
What is the InChIKey of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is HIPPSPXQODHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 25125016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).