1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid

C13H12N4O2 — CID 55178017

IUPAC1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
SMILESCn1cc(Cn2nc(C(=O)O)c3ccccc32)cn1
InChIInChI=1S/C13H12N4O2/c1-16-7-9(6-14-16)8-17-11-5-3-2-4-10(11)12(15-17)13(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyFJXGURPVQQQEMR-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid

1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid (PubChem CID 55178017) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
PubChem CID55178017
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
SMILESCn1cc(Cn2nc(C(=O)O)c3ccccc32)cn1
InChIInChI=1S/C13H12N4O2/c1-16-7-9(6-14-16)8-17-11-5-3-2-4-10(11)12(15-17)13(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyFJXGURPVQQQEMR-UHFFFAOYSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-benzylindazole-3-carboxylate
CID 22239042
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid (CID 55178017) is 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid is Cn1cc(Cn2nc(C(=O)O)c3ccccc32)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is FJXGURPVQQQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-16-7-9(6-14-16)8-17-11-5-3-2-4-10(11)12(15-17)13(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid?
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 55178017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).