2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C12H19N3O2 — CID 105499255

IUPAC2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2nn(C(C)(C)C)c(C(=O)O)c2C1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-10(11(16)17)8-7-14(4)6-5-9(8)13-15/h5-7H2,1-4H3,(H,16,17)
InChIKeyKQZBKIAPTKMGMR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.32
Rot. Bonds1

About 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 105499255) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID105499255
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2nn(C(C)(C)C)c(C(=O)O)c2C1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-10(11(16)17)8-7-14(4)6-5-9(8)13-15/h5-7H2,1-4H3,(H,16,17)
InChIKeyKQZBKIAPTKMGMR-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 105481851
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105480661
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105464804
2-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439070
2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489469
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
15-methyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene
CID 155350471
(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 105499255) is 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CN1CCc2nn(C(C)(C)C)c(C(=O)O)c2C1.
What is the InChIKey of 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is KQZBKIAPTKMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15-10(11(16)17)8-7-14(4)6-5-9(8)13-15/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 105499255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).