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

C12H19N3O — CID 176621439

IUPAC2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESCn1cc2c(n1)CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-12(2,3)11(16)15-6-5-10-9(8-15)7-14(4)13-10/h7H,5-6,8H2,1-4H3
InChIKeySEVIOZHCJYKECD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds

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

2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one (PubChem CID 176621439) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
PubChem CID176621439
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
SMILESCn1cc2c(n1)CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-12(2,3)11(16)15-6-5-10-9(8-15)7-14(4)13-10/h7H,5-6,8H2,1-4H3
InChIKeySEVIOZHCJYKECD-UHFFFAOYSA-N
XLogP1.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one (CID 176621439) is 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one is Cn1cc2c(n1)CCN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
The InChIKey is SEVIOZHCJYKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)11(16)15-6-5-10-9(8-15)7-14(4)13-10/h7H,5-6,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one?
2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 176621439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).