1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol

C22H29N5O2 — CID 15831001

IUPAC1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
SMILESCc1cc(C)n(CCOCC(O)CN(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C22H29N5O2/c1-18-13-19(2)27(25-18)11-12-29-17-22(28)16-26(14-20-7-3-5-9-23-20)15-21-8-4-6-10-24-21/h3-10,13,22,28H,11-12,14-17H2,1-2H3
InChIKeyWRDMOYMLHJEHCM-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.37
Rot. Bonds11

About 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol

1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol (PubChem CID 15831001) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
PubChem CID15831001
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
SMILESCc1cc(C)n(CCOCC(O)CN(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C22H29N5O2/c1-18-13-19(2)27(25-18)11-12-29-17-22(28)16-26(14-20-7-3-5-9-23-20)15-21-8-4-6-10-24-21/h3-10,13,22,28H,11-12,14-17H2,1-2H3
InChIKeyWRDMOYMLHJEHCM-UHFFFAOYSA-N
XLogP2.37
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 102227069
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 49024423
3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46982503
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409

Frequently Asked Questions

What is the IUPAC name of 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol (CID 15831001) is 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol is Cc1cc(C)n(CCOCC(O)CN(Cc2ccccn2)Cc2ccccn2)n1.
What is the InChIKey of 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol?
The InChIKey is WRDMOYMLHJEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-18-13-19(2)27(25-18)11-12-29-17-22(28)16-26(14-20-7-3-5-9-23-20)15-21-8-4-6-10-24-21/h3-10,13,22,28H,11-12,14-17H2,1-2H3.
What are the key properties of 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol?
1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol has a molecular weight of 395.51 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 15831001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).