1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H19F3N6O2 — CID 155874542

IUPAC1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1nccc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H19F3N6O2/c1-23-12(3-7-21-23)13(26)24-9-4-15(5-10-24,25-8-2-6-22-25)14(27)20-11-16(17,18)19/h2-3,6-8H,4-5,9-11H2,1H3,(H,20,27)
InChIKeyCIYARRZNAFCXTB-UHFFFAOYSA-N
MW384.36 g/mol
LogP0.93
Rot. Bonds4

About 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155874542) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155874542
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1nccc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H19F3N6O2/c1-23-12(3-7-21-23)13(26)24-9-4-15(5-10-24,25-8-2-6-22-25)14(27)20-11-16(17,18)19/h2-3,6-8H,4-5,9-11H2,1H3,(H,20,27)
InChIKeyCIYARRZNAFCXTB-UHFFFAOYSA-N
XLogP0.93
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide 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 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155874542) is 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cn1nccc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1.
What is the InChIKey of 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CIYARRZNAFCXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-23-12(3-7-21-23)13(26)24-9-4-15(5-10-24,25-8-2-6-22-25)14(27)20-11-16(17,18)19/h2-3,6-8H,4-5,9-11H2,1H3,(H,20,27).
What are the key properties of 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).