7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine

C18H25N7 — CID 70766467

IUPAC7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(Cc3nccn3C)CC2)n2nccc2n1
InChIInChI=1S/C18H25N7/c1-3-4-15-13-18(25-16(21-15)5-6-20-25)24-11-9-23(10-12-24)14-17-19-7-8-22(17)2/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyMOYNLRHUWDOBGZ-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.74
Rot. Bonds5

About 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine

7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 70766467) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID70766467
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(Cc3nccn3C)CC2)n2nccc2n1
InChIInChI=1S/C18H25N7/c1-3-4-15-13-18(25-16(21-15)5-6-20-25)24-11-9-23(10-12-24)14-17-19-7-8-22(17)2/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyMOYNLRHUWDOBGZ-UHFFFAOYSA-N
XLogP1.74
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine (CID 70766467) is 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(N2CCN(Cc3nccn3C)CC2)n2nccc2n1.
What is the InChIKey of 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MOYNLRHUWDOBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-3-4-15-13-18(25-16(21-15)5-6-20-25)24-11-9-23(10-12-24)14-17-19-7-8-22(17)2/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70766467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).