[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol

C17H21N5O — CID 126474527

IUPAC[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
SMILESCN(C)CCNc1ccnc2c(-c3ccc(CO)cc3)cnn12
InChIInChI=1S/C17H21N5O/c1-21(2)10-9-18-16-7-8-19-17-15(11-20-22(16)17)14-5-3-13(12-23)4-6-14/h3-8,11,18,23H,9-10,12H2,1-2H3
InChIKeyPCUNECHMQJIGDB-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.86
Rot. Bonds6

About [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol

[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol (PubChem CID 126474527) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
PubChem CID126474527
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
SMILESCN(C)CCNc1ccnc2c(-c3ccc(CO)cc3)cnn12
InChIInChI=1S/C17H21N5O/c1-21(2)10-9-18-16-7-8-19-17-15(11-20-22(16)17)14-5-3-13(12-23)4-6-14/h3-8,11,18,23H,9-10,12H2,1-2H3
InChIKeyPCUNECHMQJIGDB-UHFFFAOYSA-N
XLogP1.86
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
CID 169196864
3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
CID 126474986
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472232
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126474583
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473681
3-[2-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473551

Frequently Asked Questions

What is the IUPAC name of [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The IUPAC name of [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol (CID 126474527) is [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol is CN(C)CCNc1ccnc2c(-c3ccc(CO)cc3)cnn12.
What is the InChIKey of [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The InChIKey is PCUNECHMQJIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)10-9-18-16-7-8-19-17-15(11-20-22(16)17)14-5-3-13(12-23)4-6-14/h3-8,11,18,23H,9-10,12H2,1-2H3.
What are the key properties of [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol has a molecular weight of 311.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol is sourced from PubChem (CID 126474527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).