5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid

C12H17N3O4 — CID 59430421

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-7-4-13-14-9(7)8(6-15)10(16)17/h4,8H,5-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyMVVKXXXXYJBZQZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.33
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 59430421) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
PubChem CID59430421
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-7-4-13-14-9(7)8(6-15)10(16)17/h4,8H,5-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyMVVKXXXXYJBZQZ-UHFFFAOYSA-N
XLogP1.33
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
Tert-butyl 7-[(1-ethoxycarbonylcyclobutyl)carbamoyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 25029300
4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic acid
CID 25029530
6-(2,2,2-trifluoroacetyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-4-carboxylic acid
CID 167729246
2-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid
CID 21102139
(1R,2S)-1-(5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamido)-2-vinylcyclopropanecarboxylic acid
CID 59430420
5-tert-Butyl 7-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5,7(4H)-dicarboxylate
CID 59430425
5-(3,3-Dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid
CID 69316203
Tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 70305538
5-(tert-Butoxycarbonyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic acid
CID 71305680
CID 89040180
CID 89040180
cis-(1S,2R)-2-iodo-1-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 89040201

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid (CID 59430421) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C(=O)O)C1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is MVVKXXXXYJBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-7-4-13-14-9(7)8(6-15)10(16)17/h4,8H,5-6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 59430421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).