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

C16H19F3N6O2 — CID 155876440

IUPAC1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)n1
InChIInChI=1S/C16H19F3N6O2/c1-23-8-3-12(22-23)13(26)24-9-4-15(5-10-24,25-7-2-6-21-25)14(27)20-11-16(17,18)19/h2-3,6-8H,4-5,9-11H2,1H3,(H,20,27)
InChIKeyHZPRAZACTOXDNH-UHFFFAOYSA-N
MW384.36 g/mol
LogP0.93
Rot. Bonds4

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

1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155876440) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155876440
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)n1
InChIInChI=1S/C16H19F3N6O2/c1-23-8-3-12(22-23)13(26)24-9-4-15(5-10-24,25-7-2-6-21-25)14(27)20-11-16(17,18)19/h2-3,6-8H,4-5,9-11H2,1H3,(H,20,27)
InChIKeyHZPRAZACTOXDNH-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155876440) is 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cn1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)n1.
What is the InChIKey of 1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is HZPRAZACTOXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-23-8-3-12(22-23)13(26)24-9-4-15(5-10-24,25-7-2-6-21-25)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-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(1-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-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155876440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).