2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one

C12H19N3O — CID 118491704

IUPAC2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
SMILESCc1[nH]nc2c1CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)12(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyCINFNLNOZQTZMD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds

About 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one

2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one (PubChem CID 118491704) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
PubChem CID118491704
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
SMILESCc1[nH]nc2c1CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)12(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyCINFNLNOZQTZMD-UHFFFAOYSA-N
XLogP1.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one with MolForge

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Related Compounds

tert-butyl 3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 49759218
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 118561331
1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
N~1~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-D-leucinamide
CID 90647268
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (non-preferred name)
CID 91771576
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one (CID 118491704) is 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one is Cc1[nH]nc2c1CCN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one?
The InChIKey is CINFNLNOZQTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-9-5-6-15(7-10(9)14-13-8)11(16)12(2,3)4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one?
2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one is sourced from PubChem (CID 118491704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).