2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol

C11H17N5O — CID 135103253

IUPAC2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol
SMILESCn1cncc1CN(CCO)Cc1ccn[nH]1
InChIInChI=1S/C11H17N5O/c1-15-9-12-6-11(15)8-16(4-5-17)7-10-2-3-13-14-10/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyCKDQDIGXBGLWJS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds6

About 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol

2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol (PubChem CID 135103253) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol
PubChem CID135103253
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol
SMILESCn1cncc1CN(CCO)Cc1ccn[nH]1
InChIInChI=1S/C11H17N5O/c1-15-9-12-6-11(15)8-16(4-5-17)7-10-2-3-13-14-10/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyCKDQDIGXBGLWJS-UHFFFAOYSA-N
XLogP0.14
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
CID 135100792
2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
CID 135120617
2-[(2-butan-2-yloxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
CID 135099559
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]butanoic acid
CID 66117382
2-[(1-methylpyrazol-3-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]acetic acid
CID 140748038
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135106882
N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135089433
1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
CID 66141772
2-[(3-methylimidazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276878

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol (CID 135103253) is 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol is Cn1cncc1CN(CCO)Cc1ccn[nH]1.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol?
The InChIKey is CKDQDIGXBGLWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15-9-12-6-11(15)8-16(4-5-17)7-10-2-3-13-14-10/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol?
2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 135103253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).