ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate

C14H23N3O2 — CID 177302883

IUPACethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(C)C)c2c1CN[C@H](C)[C@H]2C
InChIInChI=1S/C14H23N3O2/c1-6-19-14(18)12-11-7-15-10(5)9(4)13(11)17(16-12)8(2)3/h8-10,15H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyWOAKFNCHHYKTOS-NXEZZACHSA-N
MW265.36 g/mol
LogP2.24
Rot. Bonds3

About ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate

ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate (PubChem CID 177302883) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate
PubChem CID177302883
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(C)C)c2c1CN[C@H](C)[C@H]2C
InChIInChI=1S/C14H23N3O2/c1-6-19-14(18)12-11-7-15-10(5)9(4)13(11)17(16-12)8(2)3/h8-10,15H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyWOAKFNCHHYKTOS-NXEZZACHSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride
CID 177302757
ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 90162051
ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate
CID 103106966
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
ethyl (7S)-7-methyl-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate
CID 177302626
ethyl 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 177302574
ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
CID 165476892
ethyl (6Z)-6-(dimethylaminomethylidene)-7-oxo-1-propan-2-yl-4,5-dihydroindazole-3-carboxylate
CID 68668519
ethyl 1-[1-[2-(difluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 138471702
ethyl 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854577
ethyl 3-amino-4-chloro-1-propan-2-ylpyrazole-5-carboxylate
CID 19619969
ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155731721

Frequently Asked Questions

What is the IUPAC name of ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate?
The IUPAC name of ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate (CID 177302883) is ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C(C)C)c2c1CN[C@H](C)[C@H]2C.
What is the InChIKey of ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate?
The InChIKey is WOAKFNCHHYKTOS-NXEZZACHSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-19-14(18)12-11-7-15-10(5)9(4)13(11)17(16-12)8(2)3/h8-10,15H,6-7H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate?
ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R,7R)-6,7-dimethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate is sourced from PubChem (CID 177302883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).