2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride

C19H23ClN4O — CID 163341809

IUPAC2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCc1nn2cccnc2c1-c1ccc(OCC2CCCCN2)cc1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-14-18(19-21-11-4-12-23(19)22-14)15-6-8-17(9-7-15)24-13-16-5-2-3-10-20-16;/h4,6-9,11-12,16,20H,2-3,5,10,13H2,1H3;1H
InChIKeyDBQZUUMHFFBPFJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride

2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 163341809) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID163341809
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCc1nn2cccnc2c1-c1ccc(OCC2CCCCN2)cc1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-14-18(19-21-11-4-12-23(19)22-14)15-6-8-17(9-7-15)24-13-16-5-2-3-10-20-16;/h4,6-9,11-12,16,20H,2-3,5,10,13H2,1H3;1H
InChIKeyDBQZUUMHFFBPFJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride?
The IUPAC name of 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride (CID 163341809) is 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride is Cc1nn2cccnc2c1-c1ccc(OCC2CCCCN2)cc1.Cl.
What is the InChIKey of 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is DBQZUUMHFFBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c1-14-18(19-21-11-4-12-23(19)22-14)15-6-8-17(9-7-15)24-13-16-5-2-3-10-20-16;/h4,6-9,11-12,16,20H,2-3,5,10,13H2,1H3;1H.
What are the key properties of 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride?
2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(piperidin-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 163341809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).