ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H24F3N5O3 — CID 26135622

IUPACethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)nn1CC)CC2
InChIInChI=1S/C19H24F3N5O3/c1-4-26-15(10-12(3)23-26)17(28)25-8-6-14-13(11-25)16(18(29)30-5-2)24-27(14)9-7-19(20,21)22/h10H,4-9,11H2,1-3H3
InChIKeyRLVXKXMEFVKFBN-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.74
Rot. Bonds6

About ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26135622) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26135622
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC Nameethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)nn1CC)CC2
InChIInChI=1S/C19H24F3N5O3/c1-4-26-15(10-12(3)23-26)17(28)25-8-6-14-13(11-25)16(18(29)30-5-2)24-27(14)9-7-19(20,21)22/h10H,4-9,11H2,1-3H3
InChIKeyRLVXKXMEFVKFBN-UHFFFAOYSA-N
XLogP2.74
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26135622) is ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)nn1CC)CC2.
What is the InChIKey of ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is RLVXKXMEFVKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-4-26-15(10-12(3)23-26)17(28)25-8-6-14-13(11-25)16(18(29)30-5-2)24-27(14)9-7-19(20,21)22/h10H,4-9,11H2,1-3H3.
What are the key properties of ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 427.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26135622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).