[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol

C9H12N4O — CID 83094498

IUPAC[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol
SMILESCc1nn(C)cc1-c1ncc(CO)[nH]1
InChIInChI=1S/C9H12N4O/c1-6-8(4-13(2)12-6)9-10-3-7(5-14)11-9/h3-4,14H,5H2,1-2H3,(H,10,11)
InChIKeySJOIRLXAWZTAHB-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.61
Rot. Bonds2

About [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol

[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol (PubChem CID 83094498) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol
PubChem CID83094498
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol
SMILESCc1nn(C)cc1-c1ncc(CO)[nH]1
InChIInChI=1S/C9H12N4O/c1-6-8(4-13(2)12-6)9-10-3-7(5-14)11-9/h3-4,14H,5H2,1-2H3,(H,10,11)
InChIKeySJOIRLXAWZTAHB-UHFFFAOYSA-N
XLogP0.61
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol (CID 83094498) is [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol is Cc1nn(C)cc1-c1ncc(CO)[nH]1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is SJOIRLXAWZTAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8(4-13(2)12-6)9-10-3-7(5-14)11-9/h3-4,14H,5H2,1-2H3,(H,10,11).
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol?
[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 83094498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).