2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

C15H25N5O — CID 77082676

IUPAC2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)CCn1ccnc1C
InChIInChI=1S/C15H25N5O/c1-12-15(13(2)20(17-12)9-10-21)11-18(4)7-8-19-6-5-16-14(19)3/h5-6,21H,7-11H2,1-4H3
InChIKeyCHTZBXBBGVLYSA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.13
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 77082676) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID77082676
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)CCn1ccnc1C
InChIInChI=1S/C15H25N5O/c1-12-15(13(2)20(17-12)9-10-21)11-18(4)7-8-19-6-5-16-14(19)3/h5-6,21H,7-11H2,1-4H3
InChIKeyCHTZBXBBGVLYSA-UHFFFAOYSA-N
XLogP1.13
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (CID 77082676) is 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CN(C)CCn1ccnc1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is CHTZBXBBGVLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-15(13(2)20(17-12)9-10-21)11-18(4)7-8-19-6-5-16-14(19)3/h5-6,21H,7-11H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 291.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 77082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).