1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide

C19H29F3N4O — CID 75475686

IUPAC1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC2CCCc3cn(CC(F)(F)F)nc32)CC1
InChIInChI=1S/C19H29F3N4O/c1-13(2)10-25-8-6-14(7-9-25)18(27)23-16-5-3-4-15-11-26(24-17(15)16)12-19(20,21)22/h11,13-14,16H,3-10,12H2,1-2H3,(H,23,27)
InChIKeyXZJLAONNONGFRT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide

1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide (PubChem CID 75475686) has the molecular formula C19H29F3N4O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide
PubChem CID75475686
Molecular FormulaC19H29F3N4O
Molecular Weight386.46 g/mol
Exact Mass386.23
IUPAC Name1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC2CCCc3cn(CC(F)(F)F)nc32)CC1
InChIInChI=1S/C19H29F3N4O/c1-13(2)10-25-8-6-14(7-9-25)18(27)23-16-5-3-4-15-11-26(24-17(15)16)12-19(20,21)22/h11,13-14,16H,3-10,12H2,1-2H3,(H,23,27)
InChIKeyXZJLAONNONGFRT-UHFFFAOYSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide (CID 75475686) is 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)NC2CCCc3cn(CC(F)(F)F)nc32)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide?
The InChIKey is XZJLAONNONGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O/c1-13(2)10-25-8-6-14(7-9-25)18(27)23-16-5-3-4-15-11-26(24-17(15)16)12-19(20,21)22/h11,13-14,16H,3-10,12H2,1-2H3,(H,23,27).
What are the key properties of 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide?
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 75475686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).