1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid

C15H16N4O2 — CID 64771668

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
SMILESCC(C)n1ccc(Cn2nc(C(=O)O)c3ccccc32)n1
InChIInChI=1S/C15H16N4O2/c1-10(2)18-8-7-11(16-18)9-19-13-6-4-3-5-12(13)14(17-19)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyDMSDVCMICPMWEB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.56
Rot. Bonds4

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid

1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid (PubChem CID 64771668) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
PubChem CID64771668
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
SMILESCC(C)n1ccc(Cn2nc(C(=O)O)c3ccccc32)n1
InChIInChI=1S/C15H16N4O2/c1-10(2)18-8-7-11(16-18)9-19-13-6-4-3-5-12(13)14(17-19)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyDMSDVCMICPMWEB-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid (CID 64771668) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid is CC(C)n1ccc(Cn2nc(C(=O)O)c3ccccc32)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is DMSDVCMICPMWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(2)18-8-7-11(16-18)9-19-13-6-4-3-5-12(13)14(17-19)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 64771668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).