5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C19H19F3N6O3 — CID 91816560

IUPAC5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)10-23-17(29)14-8-12(24-26-14)11-3-5-28(6-4-11)18(30)15-9-13(25-27-15)16-2-1-7-31-16/h1-2,7-9,11H,3-6,10H2,(H,23,29)(H,24,26)(H,25,27)
InChIKeyRMITYIMQHGTRCA-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.70
Rot. Bonds5

About 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 91816560) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID91816560
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)10-23-17(29)14-8-12(24-26-14)11-3-5-28(6-4-11)18(30)15-9-13(25-27-15)16-2-1-7-31-16/h1-2,7-9,11H,3-6,10H2,(H,23,29)(H,24,26)(H,25,27)
InChIKeyRMITYIMQHGTRCA-UHFFFAOYSA-N
XLogP2.70
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-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 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 91816560) is 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RMITYIMQHGTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c20-19(21,22)10-23-17(29)14-8-12(24-26-14)11-3-5-28(6-4-11)18(30)15-9-13(25-27-15)16-2-1-7-31-16/h1-2,7-9,11H,3-6,10H2,(H,23,29)(H,24,26)(H,25,27).
What are the key properties of 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91816560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).