6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

C16H13N5 — CID 25093328

IUPAC6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3cn[nH]c3c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-13-9-18-19-15(13)8-12/h2-10H,1H3,(H,18,19)
InChIKeyRGCICAWWIIRITL-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.03
Rot. Bonds2

About 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (PubChem CID 25093328) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
PubChem CID25093328
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3cn[nH]c3c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-13-9-18-19-15(13)8-12/h2-10H,1H3,(H,18,19)
InChIKeyRGCICAWWIIRITL-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (CID 25093328) is 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2ccc3cn[nH]c3c2)c(-c2ccncc2)n1.
What is the InChIKey of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The InChIKey is RGCICAWWIIRITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-13-9-18-19-15(13)8-12/h2-10H,1H3,(H,18,19).
What are the key properties of 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole has a molecular weight of 275.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 25093328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).