methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate

C14H17N3O3 — CID 168514912

IUPACmethyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(N3CCCC3)c12
InChIInChI=1S/C14H17N3O3/c1-19-10-6-5-9(17-7-3-4-8-17)11-12(10)15-16-13(11)14(18)20-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyYQUFGFHKIGIEIK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.96
Rot. Bonds3

About methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate

methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate (PubChem CID 168514912) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
PubChem CID168514912
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(N3CCCC3)c12
InChIInChI=1S/C14H17N3O3/c1-19-10-6-5-9(17-7-3-4-8-17)11-12(10)15-16-13(11)14(18)20-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyYQUFGFHKIGIEIK-UHFFFAOYSA-N
XLogP1.96
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
CID 155269546
methyl 5-bromo-4-methoxy-2-pyrrolidin-1-ylbenzoate
CID 168513275
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 628810
3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
CID 10852827
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
CID 3809480
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate?
The IUPAC name of methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate (CID 168514912) is methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate is COC(=O)c1[nH]nc2c(OC)ccc(N3CCCC3)c12.
What is the InChIKey of methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate?
The InChIKey is YQUFGFHKIGIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-6-5-9(17-7-3-4-8-17)11-12(10)15-16-13(11)14(18)20-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate?
methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate is sourced from PubChem (CID 168514912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).