6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C11H15N3O4 — CID 70831240

IUPAC6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C11H15N3O4/c1-6(2)18-11(17)14-4-3-7-8(5-14)12-13-9(7)10(15)16/h6H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBWZCYSHUAFBXHV-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.01
Rot. Bonds2

About 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 70831240) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID70831240
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C11H15N3O4/c1-6(2)18-11(17)14-4-3-7-8(5-14)12-13-9(7)10(15)16/h6H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBWZCYSHUAFBXHV-UHFFFAOYSA-N
XLogP1.01
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 50986432
5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 29892816
5-(Tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 45489922
6-tert-butyl 3-methyl 1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-3,6-dicarboxylate
CID 72206670
methyl 1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-3-carboxylate hydrochloride
CID 75465245
6-[(tert-butoxy)carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxylicacid
CID 105522451
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 21952836
6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 21952852
methyl 1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxylate
CID 75465246
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172764911
6-(2,2,2-Trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 83919715
Methyl 6-(2,2,2-trifluoroacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581490

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 70831240) is 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is CC(C)OC(=O)N1CCc2c(C(=O)O)n[nH]c2C1.
What is the InChIKey of 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is BWZCYSHUAFBXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(2)18-11(17)14-4-3-7-8(5-14)12-13-9(7)10(15)16/h6H,3-5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxycarbonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 70831240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).