(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol

C9H12N4O — CID 28963709

IUPAC(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(-n2ccnc2)c1CO
InChIInChI=1S/C9H12N4O/c1-7-8(5-14)9(12(2)11-7)13-4-3-10-6-13/h3-4,6,14H,5H2,1-2H3
InChIKeyJCLQSADVDZCARV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.41
Rot. Bonds2

About (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol

(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 28963709) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
PubChem CID28963709
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(-n2ccnc2)c1CO
InChIInChI=1S/C9H12N4O/c1-7-8(5-14)9(12(2)11-7)13-4-3-10-6-13/h3-4,6,14H,5H2,1-2H3
InChIKeyJCLQSADVDZCARV-UHFFFAOYSA-N
XLogP0.41
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol (CID 28963709) is (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)c(-n2ccnc2)c1CO.
What is the InChIKey of (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is JCLQSADVDZCARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-8(5-14)9(12(2)11-7)13-4-3-10-6-13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
(5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 192.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-imidazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 28963709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).