[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol

C9H12N4O — CID 130495834

IUPAC[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol
SMILESCCn1ccc(-n2cnc(CO)c2)n1
InChIInChI=1S/C9H12N4O/c1-2-13-4-3-9(11-13)12-5-8(6-14)10-7-12/h3-5,7,14H,2,6H2,1H3
InChIKeyMSEDXIICWQPWMZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.58
Rot. Bonds3

About [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol

[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol (PubChem CID 130495834) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol
PubChem CID130495834
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol
SMILESCCn1ccc(-n2cnc(CO)c2)n1
InChIInChI=1S/C9H12N4O/c1-2-13-4-3-9(11-13)12-5-8(6-14)10-7-12/h3-5,7,14H,2,6H2,1H3
InChIKeyMSEDXIICWQPWMZ-UHFFFAOYSA-N
XLogP0.58
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-ethylphenyl)imidazol-4-yl]methanol
CID 99990399
6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol
CID 176828851
[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
[1-(2-methylphenyl)imidazol-4-yl]methanol
CID 70502575
[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
CID 23445034
[1-[4-(aminomethyl)phenyl]imidazol-4-yl]methanol
CID 174723685
4-(chloromethyl)-1-(1-ethylpyrazol-3-yl)triazole
CID 126975389
[1-(3,4-dichlorophenyl)imidazol-4-yl]methanol
CID 23444980
ethane;(1-imidazo[1,2-a]pyridin-8-ylimidazol-4-yl)methanol
CID 178134180
[1-(4-fluoro-3-methylphenyl)imidazol-4-yl]methanol
CID 23445149
(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol
CID 129418649
(1-imidazo[1,2-a]pyridin-8-ylimidazol-4-yl)methanol
CID 178134181

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol?
The IUPAC name of [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol (CID 130495834) is [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol is CCn1ccc(-n2cnc(CO)c2)n1.
What is the InChIKey of [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol?
The InChIKey is MSEDXIICWQPWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-13-4-3-9(11-13)12-5-8(6-14)10-7-12/h3-5,7,14H,2,6H2,1H3.
What are the key properties of [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol?
[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 130495834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).