1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane

C20H21N5O4 — CID 160959304

IUPAC1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane
SMILESC1CCOC1.NC(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H7N3O.C8H6N2O2.C4H8O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2-4-5-3-1/h1-4H,(H2,9,12)(H,10,11);1-4H,(H,9,10)(H,11,12);1-4H2
InChIKeySWUPFTJOHMUHKO-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.72
Rot. Bonds2

About 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane

1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane (PubChem CID 160959304) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane.

Molecular Properties

Compound Name1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane
PubChem CID160959304
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane
SMILESC1CCOC1.NC(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H7N3O.C8H6N2O2.C4H8O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2-4-5-3-1/h1-4H,(H2,9,12)(H,10,11);1-4H,(H,9,10)(H,11,12);1-4H2
InChIKeySWUPFTJOHMUHKO-UHFFFAOYSA-N
XLogP2.72
TPSA146.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Indazole-3-carboxylic acid
CID 78250
ethyl 1H-indazole-3-carboxylate
CID 78251
cyclohexylmethyl 1H-indazole-3-carboxylate
CID 16275517
6-fluoro-1H-indazole-3-carboxylic Acid
CID 10821228
5-fluoro-1H-indazole-3-carboxylic acid
CID 14999052
5-iodo-1H-indazole-3-carboxylic acid
CID 21813550
6-Iodo-1H-indazole-3-carboxylic acid
CID 24728756
6-Methyl-1H-indazole-3-carboxylic acid
CID 24728760
3-(Ethoxycarbonyl)-1H-indazole-5-boronic acid, pinacol ester
CID 69454529
(2-amino-2-oxoethyl) 1H-indazole-3-carboxylate
CID 2636801
5-Fluoropentylindazole carboxylate
CID 139267009
4-fluoro-1H-indazole-3-carboxylic acid
CID 24728206

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane?
The IUPAC name of 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane (CID 160959304) is 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane.
What is the SMILES notation for 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane?
The canonical SMILES for 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane is C1CCOC1.NC(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane?
The InChIKey is SWUPFTJOHMUHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.C8H6N2O2.C4H8O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2-4-5-3-1/h1-4H,(H2,9,12)(H,10,11);1-4H,(H,9,10)(H,11,12);1-4H2.
What are the key properties of 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane?
1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane has a molecular weight of 395.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;oxolane is sourced from PubChem (CID 160959304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).