bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium

C15H26N5O+ — CID 7057462

IUPACbis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium
SMILESCc1cc(C[NH+](CCCO)Cc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C15H25N5O/c1-12-8-14(16-18(12)3)10-20(6-5-7-21)11-15-9-13(2)19(4)17-15/h8-9,21H,5-7,10-11H2,1-4H3/p+1
InChIKeyISNZBYCRWGFEHN-UHFFFAOYSA-O
MW292.41 g/mol
LogP-0.26
Rot. Bonds7

About bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium

bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium (PubChem CID 7057462) has the molecular formula C15H26N5O+ and a molecular weight of 292.41 g/mol. Its IUPAC name is bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium.

Molecular Properties

Compound Namebis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium
PubChem CID7057462
Molecular FormulaC15H26N5O+
Molecular Weight292.41 g/mol
Exact Mass292.21
IUPAC Namebis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium
SMILESCc1cc(C[NH+](CCCO)Cc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C15H25N5O/c1-12-8-14(16-18(12)3)10-20(6-5-7-21)11-15-9-13(2)19(4)17-15/h8-9,21H,5-7,10-11H2,1-4H3/p+1
InChIKeyISNZBYCRWGFEHN-UHFFFAOYSA-O
XLogP-0.26
TPSA60.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium?
The IUPAC name of bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium (CID 7057462) is bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium.
What is the SMILES notation for bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium?
The canonical SMILES for bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium is Cc1cc(C[NH+](CCCO)Cc2cc(C)n(C)n2)nn1C.
What is the InChIKey of bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium?
The InChIKey is ISNZBYCRWGFEHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N5O/c1-12-8-14(16-18(12)3)10-20(6-5-7-21)11-15-9-13(2)19(4)17-15/h8-9,21H,5-7,10-11H2,1-4H3/p+1.
What are the key properties of bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium?
bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium has a molecular weight of 292.41 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1,5-dimethylpyrazol-3-yl)methyl]-(3-hydroxypropyl)azanium is sourced from PubChem (CID 7057462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).