5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

C16H13N5 — CID 54583635

IUPAC5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3[nH]ncc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-15-13(8-12)9-18-19-15/h2-10H,1H3,(H,18,19)
InChIKeyXFPBOCXIBFTFEE-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.03
Rot. Bonds2

About 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (PubChem CID 54583635) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
PubChem CID54583635
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3[nH]ncc3c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-15-13(8-12)9-18-19-15/h2-10H,1H3,(H,18,19)
InChIKeyXFPBOCXIBFTFEE-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 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (CID 54583635) is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2ccc3[nH]ncc3c2)c(-c2ccncc2)n1.
What is the InChIKey of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The InChIKey is XFPBOCXIBFTFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-15-13(8-12)9-18-19-15/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
5-(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 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 54583635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).