methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C14H16F3N5O2 — CID 166244175

IUPACmethyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(Cc1cc(C(F)(F)F)nn1C)CC2
InChIInChI=1S/C14H16F3N5O2/c1-21-8(5-11(20-21)14(15,16)17)6-22-4-3-10-9(7-22)12(19-18-10)13(23)24-2/h5H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeySUWXCFDQHCJNHC-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.51
Rot. Bonds3

About methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 166244175) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID166244175
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Namemethyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(Cc1cc(C(F)(F)F)nn1C)CC2
InChIInChI=1S/C14H16F3N5O2/c1-21-8(5-11(20-21)14(15,16)17)6-22-4-3-10-9(7-22)12(19-18-10)13(23)24-2/h5H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeySUWXCFDQHCJNHC-UHFFFAOYSA-N
XLogP1.51
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[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 methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 166244175) is methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CN(Cc1cc(C(F)(F)F)nn1C)CC2.
What is the InChIKey of methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SUWXCFDQHCJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-21-8(5-11(20-21)14(15,16)17)6-22-4-3-10-9(7-22)12(19-18-10)13(23)24-2/h5H,3-4,6-7H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 166244175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).