4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol

C19H23N5O — CID 70715722

IUPAC4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol
SMILESCC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1
InChIInChI=1S/C19H23N5O/c1-14(2)17-13-19(24-18(21-17)7-8-20-24)23-11-9-22(10-12-23)15-3-5-16(25)6-4-15/h3-8,13-14,25H,9-12H2,1-2H3
InChIKeyGWNMLKISZJMQEL-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.88
Rot. Bonds3

About 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol

4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol (PubChem CID 70715722) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol
PubChem CID70715722
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol
SMILESCC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1
InChIInChI=1S/C19H23N5O/c1-14(2)17-13-19(24-18(21-17)7-8-20-24)23-11-9-22(10-12-23)15-3-5-16(25)6-4-15/h3-8,13-14,25H,9-12H2,1-2H3
InChIKeyGWNMLKISZJMQEL-UHFFFAOYSA-N
XLogP2.88
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
4-(7-Amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11574885
4-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11661290
3-[7-(1-Methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889091
3-(4-(3,6-dihydro-2H-pyran-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156032
3-(1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 44156033
3-(7-Amino-2-methyl-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 46891226
4-[5-(Azepan-1-yl)triazolo[4,5-b]pyridin-3-yl]phenol
CID 57400282
2-[4-(1-Phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol
CID 72549874
4-[(6-Chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenol
CID 227518

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol (CID 70715722) is 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol is CC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1.
What is the InChIKey of 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol?
The InChIKey is GWNMLKISZJMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14(2)17-13-19(24-18(21-17)7-8-20-24)23-11-9-22(10-12-23)15-3-5-16(25)6-4-15/h3-8,13-14,25H,9-12H2,1-2H3.
What are the key properties of 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol?
4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol has a molecular weight of 337.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 70715722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).