methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate

C17H18N4O3 — CID 166385160

IUPACmethyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3cnn(C4CCCCO4)c3)n[nH]c2c1
InChIInChI=1S/C17H18N4O3/c1-23-17(22)11-5-6-13-14(8-11)19-20-16(13)12-9-18-21(10-12)15-4-2-3-7-24-15/h5-6,8-10,15H,2-4,7H2,1H3,(H,19,20)
InChIKeyPSIDDFDGKVZPNV-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.91
Rot. Bonds3

About methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate

methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate (PubChem CID 166385160) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate
PubChem CID166385160
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3cnn(C4CCCCO4)c3)n[nH]c2c1
InChIInChI=1S/C17H18N4O3/c1-23-17(22)11-5-6-13-14(8-11)19-20-16(13)12-9-18-21(10-12)15-4-2-3-7-24-15/h5-6,8-10,15H,2-4,7H2,1H3,(H,19,20)
InChIKeyPSIDDFDGKVZPNV-UHFFFAOYSA-N
XLogP2.91
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate (CID 166385160) is methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(-c3cnn(C4CCCCO4)c3)n[nH]c2c1.
What is the InChIKey of methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate?
The InChIKey is PSIDDFDGKVZPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-17(22)11-5-6-13-14(8-11)19-20-16(13)12-9-18-21(10-12)15-4-2-3-7-24-15/h5-6,8-10,15H,2-4,7H2,1H3,(H,19,20).
What are the key properties of methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate?
methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate is sourced from PubChem (CID 166385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).