1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid

C19H17ClN2O3 — CID 71626125

IUPAC1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2Cc1cccc(OC(Cl)C2CC2)c1
InChIInChI=1S/C19H17ClN2O3/c20-18(13-7-8-13)25-14-4-1-3-12(9-14)11-22-17-6-2-5-15(19(23)24)16(17)10-21-22/h1-6,9-10,13,18H,7-8,11H2,(H,23,24)
InChIKeyOZQRDVLHLIYSDG-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.14
Rot. Bonds6

About 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid

1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid (PubChem CID 71626125) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid
PubChem CID71626125
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2Cc1cccc(OC(Cl)C2CC2)c1
InChIInChI=1S/C19H17ClN2O3/c20-18(13-7-8-13)25-14-4-1-3-12(9-14)11-22-17-6-2-5-15(19(23)24)16(17)10-21-22/h1-6,9-10,13,18H,7-8,11H2,(H,23,24)
InChIKeyOZQRDVLHLIYSDG-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid?
The IUPAC name of 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid (CID 71626125) is 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid.
What is the SMILES notation for 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid?
The canonical SMILES for 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid is O=C(O)c1cccc2c1cnn2Cc1cccc(OC(Cl)C2CC2)c1.
What is the InChIKey of 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid?
The InChIKey is OZQRDVLHLIYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-18(13-7-8-13)25-14-4-1-3-12(9-14)11-22-17-6-2-5-15(19(23)24)16(17)10-21-22/h1-6,9-10,13,18H,7-8,11H2,(H,23,24).
What are the key properties of 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid?
1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl]indazole-4-carboxylic acid is sourced from PubChem (CID 71626125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).