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

C13H14N4O — CID 62142478

IUPAC(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(-n2ncc3ccccc32)c1CO
InChIInChI=1S/C13H14N4O/c1-9-11(8-18)13(16(2)15-9)17-12-6-4-3-5-10(12)7-14-17/h3-7,18H,8H2,1-2H3
InChIKeyAOCPRUIYAUGDGJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds2

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

(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 62142478) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
PubChem CID62142478
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(-n2ncc3ccccc32)c1CO
InChIInChI=1S/C13H14N4O/c1-9-11(8-18)13(16(2)15-9)17-12-6-4-3-5-10(12)7-14-17/h3-7,18H,8H2,1-2H3
InChIKeyAOCPRUIYAUGDGJ-UHFFFAOYSA-N
XLogP1.56
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol (CID 62142478) is (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)c(-n2ncc3ccccc32)c1CO.
What is the InChIKey of (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is AOCPRUIYAUGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-11(8-18)13(16(2)15-9)17-12-6-4-3-5-10(12)7-14-17/h3-7,18H,8H2,1-2H3.
What are the key properties of (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol?
(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 242.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 62142478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).